CID 964742

83671-43-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CNCC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C10H16N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-7,11H,8H2,1-3H3

InChIKey

DUIPUNLJRBPNMK-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(methylaminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 146
Patents: 164.13135 Da
Monoisotopic Mass: 1.8
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	136.9
[M+Na]+	187.12057	148.8
[M+NH4]+	182.16517	146.3
[M+K]+	203.09451	141.9
[M-H]-	163.12407	141.2
[M+Na-2H]-	185.10602	144.9
[M]+	164.13080	139.8
[M]-	164.13190	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe