CID 85248

3-methyl-1-phenyltriazene

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

CN=NNC1=CC=CC=C1

InChI

InChI=1S/C7H9N3/c1-8-10-9-7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)

InChIKey

MPEZFYGMDYORDA-UHFFFAOYSA-N

Compound name

N-(methyldiazenyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 67
Patents: 135.07965 Da
Monoisotopic Mass: 2.4
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]+	136.08693	123.9
[M+Na]+	158.06887	130.8
[M-H]-	134.07237	130.5
[M+NH4]+	153.11347	146.1
[M+K]+	174.04281	130.5
[M+H-H2O]+	118.07691	117.0
[M+HCOO]-	180.07785	155.4
[M+CH3COO]-	194.09350	183.7
[M+Na-2H]-	156.05432	135.2
[M]+	135.07910	123.9
[M]-	135.08020	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe