CID 3085662

Phenol, cyclohexyl-3(or 4)-methyl-

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

CC1=C(C=CC(=C1)O)C2CCCCC2

InChI

InChI=1S/C13H18O/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3

InChIKey

XQZZRMOYMBRVNA-UHFFFAOYSA-N

Compound name

4-cyclohexyl-3-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 190.13577 Da
Monoisotopic Mass: 4.5
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]+	191.14305	142.9
[M+Na]+	213.12499	148.4
[M-H]-	189.12849	147.8
[M+NH4]+	208.16959	161.9
[M+K]+	229.09893	145.0
[M+H-H2O]+	173.13303	136.6
[M+HCOO]-	235.13397	162.1
[M+CH3COO]-	249.14962	181.7
[M+Na-2H]-	211.11044	146.7
[M]+	190.13522	137.7
[M]-	190.13632	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe