CID 13543291

Bicyclo[2.1.0]pentane-2-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1C2C1C(C2)C(=O)O
InChI
InChI=1S/C6H8O2/c7-6(8)5-2-3-1-4(3)5/h3-5H,1-2H2,(H,7,8)
InChIKey
PCKLLVMFXUPMLL-UHFFFAOYSA-N
Compound name
bicyclo[2.1.0]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

112.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.5
[M+Na]+ 135.04165 128.0
[M+NH4]+ 130.08625 126.0
[M+K]+ 151.01559 126.9
[M-H]- 111.04515 124.9
[M+Na-2H]- 133.02710 124.4
[M]+ 112.05188 122.6
[M]- 112.05298 122.6
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

patents stripe