CID 78724

3-methoxyphenethyl alcohol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

COC1=CC=CC(=C1)CCO

InChI

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

InChIKey

UPPGEJSCUZMCMW-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 697
Patents: 152.08372 Da
Monoisotopic Mass: 1.9
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]+	153.090996	130.3
[M+Na]+	175.072938	138.2
[M-H]-	151.076444	132.9
[M+NH4]+	170.117543	151.1
[M+K]+	191.046878	136.5
[M+H-H2O]+	135.080980	125.0
[M+HCOO]-	197.081921	153.9
[M+CH3COO]-	211.097571	173.8
[M+Na-2H]-	173.058386	137.4
[M]+	152.08317142	131.6
[M]-	152.08426858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe