CID 83091

1-phenyl-3,3-diethyltriazene

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CCN(CC)N=NC1=CC=CC=C1

InChI

InChI=1S/C10H15N3/c1-3-13(4-2)12-11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

InChIKey

JHPQXSWFRNIFCC-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenyldiazenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 177.1266 Da
Monoisotopic Mass: 4.3
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]+	178.13388	138.8
[M+Na]+	200.11582	144.4
[M-H]-	176.11932	146.2
[M+NH4]+	195.16042	159.9
[M+K]+	216.08976	144.9
[M+H-H2O]+	160.12386	131.0
[M+HCOO]-	222.12480	169.7
[M+CH3COO]-	236.14045	196.3
[M+Na-2H]-	198.10127	147.5
[M]+	177.12605	141.0
[M]-	177.12715	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe