CID 39872453

2187426-54-4

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1[C@@H]2[C@]1(CNC2)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-5(9)6-1-4(6)2-7-3-6/h4,7H,1-3H2,(H,8,9)/t4-,6-/m0/s1
InChIKey
QQIIAWMFVLXMES-NJGYIYPDSA-N
Compound name
(1R,5R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.06333 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 129.3
[M+Na]+ 150.05255 139.5
[M+NH4]+ 145.09715 139.1
[M+K]+ 166.02649 136.6
[M-H]- 126.05605 135.3
[M+Na-2H]- 148.03800 135.5
[M]+ 127.06278 133.4
[M]- 127.06388 133.4
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