CID 13955174

87592-41-4

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H20O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12H,2-6H2,1H3,(H,16,17)

InChIKey

DUJHWZDXZFNEKU-UHFFFAOYSA-N

Compound name

4-(4-ethylcyclohexyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 232.14633 Da
Monoisotopic Mass: 4.8
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]+	233.15361	155.0
[M+Na]+	255.13555	167.1
[M+NH4]+	250.18015	163.6
[M+K]+	271.10949	160.1
[M-H]-	231.13905	158.8
[M+Na-2H]-	253.12100	161.5
[M]+	232.14578	157.7
[M]-	232.14688	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe