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]+ 127.07536 125.9
[M+Na]+ 149.05730 136.7
[M+NH4]+ 144.10190 135.3
[M+K]+ 165.03124 135.1
[M-H]- 125.06080 133.1
[M+Na-2H]- 147.04275 131.3
[M]+ 126.06753 130.3
[M]- 126.06863 130.3
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.