CID 79738

2,3-dimethoxybenzyl alcohol

Structural Information

Molecular Formula

C₉H₁₂O₃

SMILES

COC1=CC=CC(=C1OC)CO

InChI

InChI=1S/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3

InChIKey

CRLBBOBKCLYCJK-UHFFFAOYSA-N

Compound name

(2,3-dimethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 492
Patents: 168.07864 Da
Monoisotopic Mass: 1.0
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]+	169.085916	132.8
[M+Na]+	191.067858	141.5
[M-H]-	167.071364	135.7
[M+NH4]+	186.112463	153.2
[M+K]+	207.041798	140.4
[M+H-H2O]+	151.075900	127.5
[M+HCOO]-	213.076841	156.6
[M+CH3COO]-	227.092491	177.0
[M+Na-2H]-	189.053306	139.2
[M]+	168.07809142	136.0
[M]-	168.07918858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe