CID 137935725

2253629-53-5

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C[C@H]([C@@H]2[C@H]1C2)C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)5-2-1-4-3-6(4)5/h4-6H,1-3H2,(H,8,9)/t4-,5-,6+/m1/s1
InChIKey
SGNCWPSYNGIKPA-PBXRRBTRSA-N
Compound name
(1S,2R,5R)-bicyclo[3.1.0]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.2
[M+Na]+ 149.057298 133.9
[M-H]- 125.060804 128.4
[M+NH4]+ 144.101903 143.6
[M+K]+ 165.031238 131.0
[M+H-H2O]+ 109.065340 119.7
[M+HCOO]- 171.066281 145.0
[M+CH3COO]- 185.081931 172.5
[M+Na-2H]- 147.042746 129.0
[M]+ 126.06753142 125.2
[M]- 126.06862858 125.2
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

No patent data available for this compound.