CID 11008551

2-(2,2-dimethoxyethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC(CC1=CC=CC=C1N)OC

InChI

InChI=1S/C10H15NO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7,11H2,1-2H3

InChIKey

KHUGROZNSAYXAF-UHFFFAOYSA-N

Compound name

2-(2,2-dimethoxyethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 181.11028 Da
Monoisotopic Mass: 1.1
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]+	182.11756	139.3
[M+Na]+	204.09950	150.6
[M+NH4]+	199.14410	147.5
[M+K]+	220.07344	145.0
[M-H]-	180.10300	141.6
[M+Na-2H]-	202.08495	145.6
[M]+	181.10973	141.4
[M]-	181.11083	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe