CID 460

Guaiacol

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

COC1=CC=CC=C1O

InChI

InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

Compound name

2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 2231
References: 77854
Patents: 124.05243 Da
Monoisotopic Mass: 1.3
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]+	125.05971	121.5
[M+Na]+	147.04165	134.8
[M+NH4]+	142.08625	130.6
[M+K]+	163.01559	128.8
[M-H]-	123.04515	123.6
[M+Na-2H]-	145.02710	129.2
[M]+	124.05188	124.0
[M]-	124.05298	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe