CID 30492

1-methyl-3-p-tolyltriazene

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CC1=CC=C(C=C1)NN=NC

InChI

InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)

InChIKey

DNGJVDGPCGXBFF-UHFFFAOYSA-N

Compound name

4-methyl-N-(methyldiazenyl)aniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 946
Patents: 149.09529 Da
Monoisotopic Mass: 2.7
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]+	150.102566	128.8
[M+Na]+	172.084508	136.2
[M-H]-	148.088014	135.5
[M+NH4]+	167.129113	150.7
[M+K]+	188.058448	135.7
[M+H-H2O]+	132.092550	121.9
[M+HCOO]-	194.093491	159.9
[M+CH3COO]-	208.109141	187.8
[M+Na-2H]-	170.069956	138.7
[M]+	149.09474142	129.4
[M]-	149.09583858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe