CID 277923

3-cyclopentylbenzoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC(C1)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
InChIKey
GQVWASOWRGJNCI-UHFFFAOYSA-N
Compound name
3-cyclopentylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.09938 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.0
[M+Na]+ 213.08860 147.7
[M-H]- 189.09210 147.0
[M+NH4]+ 208.13320 162.3
[M+K]+ 229.06254 145.0
[M+H-H2O]+ 173.09664 136.0
[M+HCOO]- 235.09758 163.1
[M+CH3COO]- 249.11323 179.2
[M+Na-2H]- 211.07405 144.2
[M]+ 190.09883 138.3
[M]- 190.09993 138.3
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