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 167.7
[M+Na]+ 295.16686 170.1
[M-H]- 271.17036 174.6
[M+NH4]+ 290.21146 185.9
[M+K]+ 311.14080 166.0
[M+H-H2O]+ 255.17490 160.4
[M+HCOO]- 317.17584 183.8
[M+CH3COO]- 331.19149 193.8
[M+Na-2H]- 293.15231 166.9
[M]+ 272.17709 159.5
[M]- 272.17819 159.5
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.