CID 239603

2,3-dimethoxyaniline

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC1=CC=CC(=C1OC)N

InChI

InChI=1S/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3

InChIKey

HEZIOZBMPKPOER-UHFFFAOYSA-N

Compound name

2,3-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 923
Patents: 153.07898 Da
Monoisotopic Mass: 0.9
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]+	154.08626	129.6
[M+Na]+	176.06820	142.1
[M+NH4]+	171.11280	138.2
[M+K]+	192.04214	136.3
[M-H]-	152.07170	132.3
[M+Na-2H]-	174.05365	136.6
[M]+	153.07843	132.0
[M]-	153.07953	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe