CID 2786955

3,4-dimethoxy-n-methylaniline

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CNC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C9H13NO2/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6,10H,1-3H3

InChIKey

PGBJWAKHAFOCEL-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 167.09464 Da
Monoisotopic Mass: 2.1
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]+	168.101916	133.4
[M+Na]+	190.083858	141.8
[M-H]-	166.087364	137.7
[M+NH4]+	185.128463	154.3
[M+K]+	206.057798	141.0
[M+H-H2O]+	150.091900	127.6
[M+HCOO]-	212.092841	159.5
[M+CH3COO]-	226.108491	182.5
[M+Na-2H]-	188.069306	140.6
[M]+	167.09409142	136.3
[M]-	167.09518858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe