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

17
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 126.8
[M+Na]+ 134.09402 136.4
[M-H]- 110.09752 129.4
[M+NH4]+ 129.13862 147.3
[M+K]+ 150.06796 133.9
[M+H-H2O]+ 94.102060 121.8
[M+HCOO]- 156.10300 146.6
[M+CH3COO]- 170.11865 169.8
[M+Na-2H]- 132.07947 133.9
[M]+ 111.10425 126.6
[M]- 111.10535 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