CID 13705

4-methylazobenzene

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

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

InChI

InChI=1S/C13H12N2/c1-11-7-9-13(10-8-11)15-14-12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

GIJSVMOPNUOZBC-UHFFFAOYSA-N

Compound name

(4-methylphenyl)-phenyldiazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 924
Patents: 196.10005 Da
Monoisotopic Mass: 4.2
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]+	197.10733	143.3
[M+Na]+	219.08927	158.6
[M+NH4]+	214.13387	153.7
[M+K]+	235.06321	149.2
[M-H]-	195.09277	150.9
[M+Na-2H]-	217.07472	155.7
[M]+	196.09950	147.8
[M]-	196.10060	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe