CID 23654

1-phenyl-3,3-dimethyltriazene

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CN(C)N=NC1=CC=CC=C1

InChI

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

InChIKey

LLROQAGEAVDYFP-UHFFFAOYSA-N

Compound name

N-methyl-N-phenyldiazenylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 50
References: 236
Patents: 149.09529 Da
Monoisotopic Mass: 2.6
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]+	150.10257	131.2
[M+Na]+	172.08451	142.9
[M+NH4]+	167.12911	140.8
[M+K]+	188.05845	136.0
[M-H]-	148.08801	136.5
[M+Na-2H]-	170.06996	140.6
[M]+	149.09474	134.3
[M]-	149.09584	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe