CID 45092473

159172-92-6

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1([C@@H]2[C@H]1C(=O)NC2)C
InChI
InChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey
NOEANOXILSYOIN-WHFBIAKZSA-N
Compound name
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

125.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 128.4
[M+Na]+ 148.07328 140.1
[M-H]- 124.07678 131.8
[M+NH4]+ 143.11788 148.9
[M+K]+ 164.04722 136.9
[M+H-H2O]+ 108.08132 124.3
[M+HCOO]- 170.08226 148.4
[M+CH3COO]- 184.09791 172.9
[M+Na-2H]- 146.05873 134.3
[M]+ 125.08351 129.8
[M]- 125.08461 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe