CID 11983697

(1r,3s,5r)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1[C@H]2[C@@H]1N[C@@H](C2)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-2-3-1-4(3)7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m1/s1
InChIKey
XBEMWFUKTKDJKP-WDCZJNDASA-N
Compound name
(1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

112
Patents

127.06333 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 126.7
[M+Na]+ 150.05255 136.9
[M+NH4]+ 145.09715 135.0
[M+K]+ 166.02649 136.0
[M-H]- 126.05605 132.6
[M+Na-2H]- 148.03800 131.3
[M]+ 127.06278 130.5
[M]- 127.06388 130.5
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