CID 12410138

2,4,5-trimethoxyaniline

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

COC1=CC(=C(C=C1N)OC)OC

InChI

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

InChIKey

SXVWPPJHFOCGAD-UHFFFAOYSA-N

Compound name

2,4,5-trimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 183.08954 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]+	184.09682	136.6
[M+Na]+	206.07876	145.9
[M-H]-	182.08226	140.7
[M+NH4]+	201.12336	156.8
[M+K]+	222.05270	145.2
[M+H-H2O]+	166.08680	130.8
[M+HCOO]-	228.08774	162.3
[M+CH3COO]-	242.10339	185.1
[M+Na-2H]-	204.06421	142.0
[M]+	183.08899	140.3
[M]-	183.09009	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe