CID 81437

3-methoxybenzyl alcohol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

COC1=CC=CC(=C1)CO

InChI

InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3

InChIKey

IIGNZLVHOZEOPV-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2647
Patents: 138.06808 Da
Monoisotopic Mass: 1.2
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]+	139.07536	125.6
[M+Na]+	161.05730	134.0
[M-H]-	137.06080	128.4
[M+NH4]+	156.10190	147.0
[M+K]+	177.03124	132.5
[M+H-H2O]+	121.06534	120.6
[M+HCOO]-	183.06628	149.5
[M+CH3COO]-	197.08193	170.8
[M+Na-2H]-	159.04275	133.3
[M]+	138.06753	126.6
[M]-	138.06863	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe