CID 8413

O-tolidine

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

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

InChI

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

InChIKey

NUIURNJTPRWVAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 77
References: 27412
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	163.5
[M+NH4]+	230.16517	158.5
[M+K]+	251.09451	155.7
[M-H]-	211.12407	155.7
[M+Na-2H]-	233.10602	158.4
[M]+	212.13080	153.1
[M]-	212.13190	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe