CID 14457544

4-methoxy-3-methylbenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC1=C(C=CC(=C1)CO)OC

InChI

InChI=1S/C9H12O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5,10H,6H2,1-2H3

InChIKey

UVIIQYUUEVQCOR-UHFFFAOYSA-N

Compound name

(4-methoxy-3-methylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 152.08372 Da
Monoisotopic Mass: 1.4
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	130.1
[M+Na]+	175.07294	143.5
[M+NH4]+	170.11754	138.9
[M+K]+	191.04688	137.1
[M-H]-	151.07644	132.2
[M+Na-2H]-	173.05839	137.1
[M]+	152.08317	132.6
[M]-	152.08427	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe