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Structural and stereochemical factors in the mass spectrometry of mono‐ and dimethylbicyclo[3.3.1]nonanes
Author(s) -
Golovkina L. S.,
Rusinova G. V.,
Sokolova I. M.,
Matveeva I. A.,
Gervitz G. E.,
Petrov A. A.
Publication year - 1979
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.1210141202
Subject(s) - bicyclic molecule , chemistry , fragmentation (computing) , cyclohexane , mass spectrum , electron ionization , mass spectrometry , stereochemistry , ion , polyatomic ion , computational chemistry , organic chemistry , chromatography , ionization , computer science , operating system
The mass spectra of mono‐ and dimethylbicyclo[3,3,1]nonanes have been studied. In addition to the fragmentation of the bicyclic form of the molecular ion, the latter appears to dissociate from its monocyclic form. Structural isomers and stereoisomers with essential differences in thermodynamic stability may be identified by the quantitative differences in their mass spectra. Stereoisomers with a ‘boat’ conformation of one of the cyclohexane rings have been shown to differ from the stereoisomers with a ‘chair’ conformation of both rings by virtue of higher intensity of odd‐electron ions for the former.