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: 30
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	154.2
[M+Na]+	255.13555	158.7
[M-H]-	231.13905	158.8
[M+NH4]+	250.18015	171.2
[M+K]+	271.10949	155.3
[M+H-H2O]+	215.14359	147.4
[M+HCOO]-	277.14453	172.1
[M+CH3COO]-	291.16018	189.9
[M+Na-2H]-	253.12100	155.7
[M]+	232.14578	149.8
[M]-	232.14688	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe