CID 12109

4-methyldiphenylamine

Structural Information

Molecular Formula

C₁₃H₁₃N

SMILES

CC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3

InChIKey

AGHYMXKKEXDUTA-UHFFFAOYSA-N

Compound name

4-methyl-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2873
Patents: 183.1048 Da
Monoisotopic Mass: 3.9
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]+	184.11208	140.4
[M+Na]+	206.09402	155.8
[M+NH4]+	201.13862	150.8
[M+K]+	222.06796	146.8
[M-H]-	182.09752	146.9
[M+Na-2H]-	204.07947	152.0
[M]+	183.10425	144.6
[M]-	183.10535	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe