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]+ 273.184916 167.7
[M+Na]+ 295.166858 170.1
[M-H]- 271.170364 174.6
[M+NH4]+ 290.211463 185.9
[M+K]+ 311.140798 166.0
[M+H-H2O]+ 255.174900 160.4
[M+HCOO]- 317.175841 183.8
[M+CH3COO]- 331.191491 193.8
[M+Na-2H]- 293.152306 166.9
[M]+ 272.17709142 159.5
[M]- 272.17818858 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.