CID 221156

2-cyclohexylanisole

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

COC1=CC=CC=C1C2CCCCC2

InChI

InChI=1S/C13H18O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3

InChIKey

CMMWEZJMZPQGJL-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 190.13577 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]+	191.14305	142.8
[M+Na]+	213.12499	147.7
[M-H]-	189.12849	148.6
[M+NH4]+	208.16959	162.1
[M+K]+	229.09893	145.3
[M+H-H2O]+	173.13303	135.9
[M+HCOO]-	235.13397	163.5
[M+CH3COO]-	249.14962	183.2
[M+Na-2H]-	211.11044	147.7
[M]+	190.13522	139.0
[M]-	190.13632	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe