CID 73996

Methoxyxylenol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=CC(=CC(=C1O)C)OC

InChI

InChI=1S/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3

InChIKey

UCHRDYUBDZOFBJ-UHFFFAOYSA-N

Compound name

4-methoxy-2,6-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 89
Patents: 152.08372 Da
Monoisotopic Mass: 1.3
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]+	153.09100	128.8
[M+Na]+	175.07294	138.6
[M-H]-	151.07644	132.2
[M+NH4]+	170.11754	150.3
[M+K]+	191.04688	137.0
[M+H-H2O]+	135.08098	124.1
[M+HCOO]-	197.08192	152.4
[M+CH3COO]-	211.09757	176.2
[M+Na-2H]-	173.05839	134.6
[M]+	152.08317	131.0
[M]-	152.08427	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe