Chemical Forums
Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: LightningShotz on June 17, 2020, 07:05:00 AM
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Hi
Please redirect if I have submitted in the wrong location.
I wanted to confirm how you would draw the correct structure for the following compound after undergoing a "water loss" in a mass spectrometer collision cell.
The molecule InChi is:
InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3/t12-,14-/m0/s1
Thanks for your help.
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(racemic, I think)
What are your thoughts. How can you eliminate water?
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I came up with this but wasn't sure.
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Seems sensible but check the nitrogen and the conformation
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When -OH is lost from one carbon, what else is lost, and where is it lost?
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Seems sensible but check the nitrogen and the conformation
I’m not sure what you mean here?
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Look at the groups on nitrogen.
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Look at the groups on nitrogen.
I believe from the original InChi that it’s NH2.
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Look at the groups on nitrogen.
I believe from the original InChi that it’s NH2.
The drawing in the second post (by sjb) showed two methyl groups. Also, you have not addressed my comment.
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I confess, I'm not sure if my translation of the InChi is correct. Looking at it again, it is probably the primary amine and a pure enantiomer (http://www.chemspider.com/Chemical-Structure.23976885.html)
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What is the mechanism of the dehydration?