CID 11008551

Benzenamine, 2-(2,2-dimethoxyethyl)-

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: 67
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]+	182.117556	139.7
[M+Na]+	204.099498	146.4
[M-H]-	180.103004	142.9
[M+NH4]+	199.144103	159.3
[M+K]+	220.073438	145.4
[M+H-H2O]+	164.107540	133.5
[M+HCOO]-	226.108481	163.8
[M+CH3COO]-	240.124131	184.5
[M+Na-2H]-	202.084946	144.6
[M]+	181.10973142	140.8
[M]-	181.11082858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe