CID 22763155

2-cyclopentylbenzoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC(C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)
InChIKey
RPRGWESZAIJLOZ-UHFFFAOYSA-N
Compound name
2-cyclopentylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

190.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 142.0
[M+Na]+ 213.088598 147.7
[M-H]- 189.092104 147.0
[M+NH4]+ 208.133203 162.3
[M+K]+ 229.062538 145.0
[M+H-H2O]+ 173.096640 136.0
[M+HCOO]- 235.097581 163.1
[M+CH3COO]- 249.113231 179.2
[M+Na-2H]- 211.074046 144.2
[M]+ 190.09883142 138.3
[M]- 190.09992858 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