CID 23423434

Bicyclo[2.1.0]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC2(C1C2)C(=O)O
InChI
InChI=1S/C6H8O2/c7-5(8)6-2-1-4(6)3-6/h4H,1-3H2,(H,7,8)
InChIKey
URZGHXFWPDANHP-UHFFFAOYSA-N
Compound name
bicyclo[2.1.0]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

112.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.9
[M+Na]+ 135.04165 130.8
[M-H]- 111.04515 126.7
[M+NH4]+ 130.08625 135.9
[M+K]+ 151.01559 132.2
[M+H-H2O]+ 95.049690 113.9
[M+HCOO]- 157.05063 141.8
[M+CH3COO]- 171.06628 173.6
[M+Na-2H]- 133.02710 130.0
[M]+ 112.05188 132.5
[M]- 112.05298 132.5
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