CID 14939861

5636-52-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CN(C)CCC1=CC=C(C=C1)N

InChI

InChI=1S/C10H16N2/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8,11H2,1-2H3

InChIKey

XPKKPVBDOPPWJU-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 400
Patents: 164.13135 Da
Monoisotopic Mass: 0.8
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]+	165.13863	137.0
[M+Na]+	187.12057	148.5
[M+NH4]+	182.16517	146.1
[M+K]+	203.09451	141.9
[M-H]-	163.12407	141.1
[M+Na-2H]-	185.10602	144.4
[M]+	164.13080	139.7
[M]-	164.13190	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe