CID 66537

84-67-3

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CC1=C(C=CC(=C1)N)C2=C(C=C(C=C2)N)C

InChI

InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3

InChIKey

QYIMZXITLDTULQ-UHFFFAOYSA-N

Compound name

4-(4-amino-2-methylphenyl)-3-methylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 18364
Patents: 212.13135 Da
Monoisotopic Mass: 2.9
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	148.7
[M+Na]+	235.12057	157.5
[M-H]-	211.12407	155.5
[M+NH4]+	230.16517	167.1
[M+K]+	251.09451	152.9
[M+H-H2O]+	195.12861	141.7
[M+HCOO]-	257.12955	173.9
[M+CH3COO]-	271.14520	195.2
[M+Na-2H]-	233.10602	152.5
[M]+	212.13080	146.0
[M]-	212.13190	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe