CID 3104716

65355-30-8

Structural Information

Molecular Formula

C₁₈H₂₆O₂

SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H26O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15H,2-9H2,1H3,(H,19,20)

InChIKey

YXKKMVGGPRVHIL-UHFFFAOYSA-N

Compound name

4-(4-pentylcyclohexyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 422
Patents: 274.19327 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.20055	168.5
[M+Na]+	297.18249	179.9
[M+NH4]+	292.22709	176.5
[M+K]+	313.15643	172.2
[M-H]-	273.18599	172.1
[M+Na-2H]-	295.16794	174.1
[M]+	274.19272	171.1
[M]-	274.19382	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe