CID 145913449

2750725-35-8

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C[C@H]2[C@@H]1CC2C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-3-4-1-2-5(4)6/h4-6H,1-3H2,(H,8,9)/t4-,5-,6?/m0/s1
InChIKey
GFKDXHYKQUQYFA-HVYQYDHPSA-N
Compound name
(1S,4S)-bicyclo[2.2.0]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 118.0
[M+Na]+ 149.057298 122.6
[M-H]- 125.060804 121.2
[M+NH4]+ 144.101903 127.0
[M+K]+ 165.031238 127.5
[M+H-H2O]+ 109.065340 105.0
[M+HCOO]- 171.066281 135.0
[M+CH3COO]- 185.081931 184.1
[M+Na-2H]- 147.042746 123.3
[M]+ 126.06753142 133.0
[M]- 126.06862858 133.0
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.