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]+ 128.070606 128.2
[M+Na]+ 150.052548 137.8
[M-H]- 126.056054 129.7
[M+NH4]+ 145.097153 147.2
[M+K]+ 166.026488 134.9
[M+H-H2O]+ 110.060590 123.9
[M+HCOO]- 172.061531 146.4
[M+CH3COO]- 186.077181 168.2
[M+Na-2H]- 148.037996 134.3
[M]+ 127.06278142 127.6
[M]- 127.06387858 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