CID 33559

N-methyl-4,4'-methylenedianiline

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CNC1=CC=C(C=C1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C14H16N2/c1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11/h2-9,16H,10,15H2,1H3

InChIKey

DEAOXXGXJLMFAS-UHFFFAOYSA-N

Compound name

4-[[4-(methylamino)phenyl]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 134
Patents: 212.13135 Da
Monoisotopic Mass: 2.3
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]+	213.13863	149.2
[M+Na]+	235.12057	163.1
[M+NH4]+	230.16517	158.7
[M+K]+	251.09451	154.7
[M-H]-	211.12407	155.8
[M+Na-2H]-	233.10602	159.4
[M]+	212.13080	153.1
[M]-	212.13190	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe