CID 10464360

2-azabicyclo[3.1.0]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CNC2(C1C2)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-5(9)6-3-4(6)1-2-7-6/h4,7H,1-3H2,(H,8,9)
InChIKey
CLPZNYCYBYIODB-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

127.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 128.2
[M+Na]+ 150.05255 137.8
[M-H]- 126.05605 129.7
[M+NH4]+ 145.09715 147.2
[M+K]+ 166.02649 134.9
[M+H-H2O]+ 110.06059 123.9
[M+HCOO]- 172.06153 146.4
[M+CH3COO]- 186.07718 168.2
[M+Na-2H]- 148.03800 134.3
[M]+ 127.06278 127.6
[M]- 127.06388 127.6
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