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Electron‐impact‐induced ion fragmentation of polyfunctional N‐cyclohexylcarbamates
Author(s) -
Schildcrout Steven M.,
Gebelein Charles G.
Publication year - 1972
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210060505
Subject(s) - fragmentation (computing) , mass spectrum , ion , chemistry , electron ionization , hydrogen , spectral line , polyatomic ion , medicinal chemistry , stereochemistry , computational chemistry , physics , organic chemistry , astronomy , computer science , ionization , operating system
Mass spectra at 70, 15 and 10 eV are reported for methyl N‐cyclohexylcarbamate, methyl N‐trans‐2‐iodocyclohexylcarbamate, allyl N‐cyclohexylcarbamate and allyl N‐ trans ‐2‐iodocyclo‐hexylcarbamate. Principal modes of ion fragmentation including hydrogen and skeletal rearrangements are discussed in terms of individual functional groups and their interaction, and are consistent in many cases with mechanisms previously proposed for other compounds. The effects of the iodo and the allyl groups, when present, predominate in the spectra. The application of McLafferty's ‘active site’ concept to these polyfunctional compounds is found to be useful.