CID 37847

4-(3-cyclopentylpropyl)benzoic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(C1)CCCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H20O2/c16-15(17)14-10-8-13(9-11-14)7-3-6-12-4-1-2-5-12/h8-12H,1-7H2,(H,16,17)
InChIKey
QRFGKRFRMUTRRO-UHFFFAOYSA-N
Compound name
4-(3-cyclopentylpropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.14633 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 155.9
[M+Na]+ 255.135548 160.3
[M-H]- 231.139054 160.4
[M+NH4]+ 250.180153 174.5
[M+K]+ 271.109488 156.8
[M+H-H2O]+ 215.143590 149.3
[M+HCOO]- 277.144531 175.9
[M+CH3COO]- 291.160181 188.2
[M+Na-2H]- 253.120996 156.5
[M]+ 232.14578142 153.2
[M]- 232.14687858 153.2
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