CID 69176948

1-ethyl-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C7H13N
SMILES
CCC12CC1CNC2
InChI
InChI=1S/C7H13N/c1-2-7-3-6(7)4-8-5-7/h6,8H,2-5H2,1H3
InChIKey
ZAPBJKNMYYDVGK-UHFFFAOYSA-N
Compound name
1-ethyl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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 126.8
[M+Na]+ 134.094018 136.4
[M-H]- 110.097524 129.4
[M+NH4]+ 129.138623 147.3
[M+K]+ 150.067958 133.9
[M+H-H2O]+ 94.102060 121.8
[M+HCOO]- 156.103001 146.6
[M+CH3COO]- 170.118651 169.8
[M+Na-2H]- 132.079466 133.9
[M]+ 111.10425142 126.6
[M]- 111.10534858 126.6
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