CID 54594901

6,6-dimethyl-3-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C7H13N
SMILES
CC1(C2C1CNC2)C
InChI
InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
InChIKey
BGOMFPZIMJCRDV-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 126.2
[M+Na]+ 134.094018 136.7
[M-H]- 110.097524 129.2
[M+NH4]+ 129.138623 147.0
[M+K]+ 150.067958 134.0
[M+H-H2O]+ 94.102060 121.6
[M+HCOO]- 156.103001 145.9
[M+CH3COO]- 170.118651 170.8
[M+Na-2H]- 132.079466 132.7
[M]+ 111.10425142 126.4
[M]- 111.10534858 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe