CID 576911

1-(2-(hydroxymethyl)phenyl)ethanol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CC(C1=CC=CC=C1CO)O

InChI

InChI=1S/C9H12O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7,10-11H,6H2,1H3

InChIKey

XVKYPJPUAOOGBQ-UHFFFAOYSA-N

Compound name

1-[2-(hydroxymethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 152.08372 Da
Monoisotopic Mass: 0.6
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	131.4
[M+Na]+	175.07294	143.4
[M+NH4]+	170.11754	139.7
[M+K]+	191.04688	138.0
[M-H]-	151.07644	132.6
[M+Na-2H]-	173.05839	137.5
[M]+	152.08317	133.3
[M]-	152.08427	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe