CID 12686507

N-ethyl-3,4-dimethoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCNC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C10H15NO2/c1-4-11-8-5-6-9(12-2)10(7-8)13-3/h5-7,11H,4H2,1-3H3

InChIKey

PEQJBOMPGWYIRO-UHFFFAOYSA-N

Compound name

N-ethyl-3,4-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 181.11028 Da
Monoisotopic Mass: 2.4
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]+	182.11756	138.6
[M+Na]+	204.09950	150.9
[M+NH4]+	199.14410	147.0
[M+K]+	220.07344	144.4
[M-H]-	180.10300	141.3
[M+Na-2H]-	202.08495	145.5
[M]+	181.10973	141.1
[M]-	181.11083	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe