CID 92367

1,3-diethyltriazene

Structural Information

Molecular Formula

C₄H₁₁N₃

SMILES

CCNN=NCC

InChI

InChI=1S/C4H11N3/c1-3-5-7-6-4-2/h3-4H2,1-2H3,(H,5,6)

InChIKey

LCHNLUYWGSDIDJ-UHFFFAOYSA-N

Compound name

N-(ethyldiazenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 101.0953 Da
Monoisotopic Mass: 1.5
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]+	102.102576	118.7
[M+Na]+	124.084518	125.3
[M-H]-	100.088024	122.1
[M+NH4]+	119.129123	142.5
[M+K]+	140.058458	126.8
[M+H-H2O]+	84.092560	112.9
[M+HCOO]-	146.093501	149.3
[M+CH3COO]-	160.109151	179.5
[M+Na-2H]-	122.069966	128.5
[M]+	101.09475142	119.9
[M]-	101.09584858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe