CID 114538

2-methoxy-alpha-methylbenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(C1=CC=CC=C1OC)O

InChI

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

InChIKey

DHHGVIOVURMJEA-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 336
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	130.6
[M+Na]+	175.07294	138.2
[M-H]-	151.07644	133.2
[M+NH4]+	170.11754	151.3
[M+K]+	191.04688	137.0
[M+H-H2O]+	135.08098	125.4
[M+HCOO]-	197.08192	153.2
[M+CH3COO]-	211.09757	174.7
[M+Na-2H]-	173.05839	136.4
[M]+	152.08317	131.3
[M]-	152.08427	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe