CID 13356

868-54-2

Structural Information

Molecular Formula

C₆H₄N₄

SMILES

C(C#N)C(=C(C#N)C#N)N

InChI

InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2

InChIKey

BNHGNFYPZNDLAF-UHFFFAOYSA-N

Compound name

2-aminoprop-1-ene-1,1,3-tricarbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 363
Patents: 132.0436 Da
Monoisotopic Mass: -0.1
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]+	133.05088	190.8
[M+Na]+	155.03282	194.4
[M+NH4]+	150.07742	189.1
[M+K]+	171.00676	186.0
[M-H]-	131.03632	180.9
[M+Na-2H]-	153.01827	186.2
[M]+	132.04305	187.3
[M]-	132.04415	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe