CID 88426

3,3-dimethyl-1-(3-nitrophenyl)triazene

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

CN(C)N=NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H10N4O2/c1-11(2)10-9-7-4-3-5-8(6-7)12(13)14/h3-6H,1-2H3

InChIKey

JKJVFVAYXDTCRD-UHFFFAOYSA-N

Compound name

N-methyl-N-[(3-nitrophenyl)diazenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 194.08037 Da
Monoisotopic Mass: 2.8
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]+	195.08765	139.1
[M+Na]+	217.06959	150.7
[M+NH4]+	212.11419	147.3
[M+K]+	233.04353	147.5
[M-H]-	193.07309	144.8
[M+Na-2H]-	215.05504	146.9
[M]+	194.07982	142.0
[M]-	194.08092	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe