CID 12462

1,2,3-trimethoxybenzene

Structural Information

Molecular Formula

C₉H₁₂O₃

SMILES

COC1=C(C(=CC=C1)OC)OC

InChI

InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3

InChIKey

CRUILBNAQILVHZ-UHFFFAOYSA-N

Compound name

1,2,3-trimethoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 127
References: 8153
Patents: 168.07864 Da
Monoisotopic Mass: 1.5
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]+	169.08592	132.7
[M+Na]+	191.06786	146.1
[M+NH4]+	186.11246	141.3
[M+K]+	207.04180	140.0
[M-H]-	167.07136	134.8
[M+Na-2H]-	189.05331	139.8
[M]+	168.07809	135.2
[M]-	168.07919	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe