CID 213715

1-(4-cyclohexylphenyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C18H24O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3(CCCC3)C(=O)O
InChI
InChI=1S/C18H24O2/c19-17(20)18(12-4-5-13-18)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h8-11,14H,1-7,12-13H2,(H,19,20)
InChIKey
LUPJBVHDJAMELC-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18492 168.7
[M+Na]+ 295.16686 178.8
[M+NH4]+ 290.21146 178.9
[M+K]+ 311.14080 171.5
[M-H]- 271.17036 173.6
[M+Na-2H]- 293.15231 176.3
[M]+ 272.17709 171.5
[M]- 272.17819 171.5
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

No patent data available for this compound.