CID 11297945

Bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1C2CC1(C2)C(=O)O
InChI
InChI=1S/C6H8O2/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H,7,8)
InChIKey
ORCXPYPDHLVQFP-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1000
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 136.7
[M+Na]+ 135.04165 133.7
[M+NH4]+ 130.08625 135.7
[M+K]+ 151.01559 133.4
[M-H]- 111.04515 129.2
[M+Na-2H]- 133.02710 132.3
[M]+ 112.05188 131.4
[M]- 112.05298 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe