CID 12513426

Bicyclo[2.1.0]pentane-5-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC2C1C2C(=O)O
InChI
InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4(3)5/h3-5H,1-2H2,(H,7,8)
InChIKey
LGOIBBWJYJOSHI-UHFFFAOYSA-N
Compound name
bicyclo[2.1.0]pentane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.5
[M+Na]+ 135.04165 127.4
[M-H]- 111.04515 123.1
[M+NH4]+ 130.08625 130.8
[M+K]+ 151.01559 128.2
[M+H-H2O]+ 95.049690 109.2
[M+HCOO]- 157.05063 138.7
[M+CH3COO]- 171.06628 175.1
[M+Na-2H]- 133.02710 125.1
[M]+ 112.05188 129.0
[M]- 112.05298 129.0
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.