CID 32285

3,4,5-trimethoxyaniline

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

COC1=CC(=CC(=C1OC)OC)N

InChI

InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3

InChIKey

XEFRNCLPPFDWAC-UHFFFAOYSA-N

Compound name

3,4,5-trimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 3361
Patents: 183.08954 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]+	184.09682	137.1
[M+Na]+	206.07876	149.2
[M+NH4]+	201.12336	144.9
[M+K]+	222.05270	143.9
[M-H]-	182.08226	139.2
[M+Na-2H]-	204.06421	143.1
[M]+	183.08899	139.3
[M]-	183.09009	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe