CID 82731

4-cyclohexyl-2,6-xylenol

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

CC1=CC(=CC(=C1O)C)C2CCCCC2

InChI

InChI=1S/C14H20O/c1-10-8-13(9-11(2)14(10)15)12-6-4-3-5-7-12/h8-9,12,15H,3-7H2,1-2H3

InChIKey

JEOOYEDQODNSOL-UHFFFAOYSA-N

Compound name

4-cyclohexyl-2,6-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
Patents: 204.15141 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]+	205.158686	147.1
[M+Na]+	227.140628	153.0
[M-H]-	203.144134	152.2
[M+NH4]+	222.185233	165.8
[M+K]+	243.114568	149.5
[M+H-H2O]+	187.148670	140.8
[M+HCOO]-	249.149611	165.9
[M+CH3COO]-	263.165261	185.9
[M+Na-2H]-	225.126076	149.6
[M]+	204.15086142	142.6
[M]-	204.15195858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe