CID 69705

4-methoxyphenethyl alcohol

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

COC1=CC=C(C=C1)CCO

InChI

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

InChIKey

AUWDOZOUJWEPBA-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1584
Patents: 152.08372 Da
Monoisotopic Mass: 0.8
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	130.3
[M+Na]+	175.07294	138.2
[M-H]-	151.07644	132.9
[M+NH4]+	170.11754	151.1
[M+K]+	191.04688	136.5
[M+H-H2O]+	135.08098	125.0
[M+HCOO]-	197.08192	153.9
[M+CH3COO]-	211.09757	173.8
[M+Na-2H]-	173.05839	137.4
[M]+	152.08317	131.6
[M]-	152.08427	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe