CID 19474

1,2-dicyanocyclobutene

Structural Information

Molecular Formula

C₆H₄N₂

SMILES

C1CC(=C1C#N)C#N

InChI

InChI=1S/C6H4N2/c7-3-5-1-2-6(5)4-8/h1-2H2

InChIKey

VMFXYPBFHHRGKQ-UHFFFAOYSA-N

Compound name

cyclobutene-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 104.037445 Da
Monoisotopic Mass: 0.3
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]+	105.04472	151.1
[M+Na]+	127.02666	157.0
[M+NH4]+	122.07127	150.3
[M+K]+	143.00060	148.3
[M-H]-	103.03017	140.2
[M+Na-2H]-	125.01211	149.6
[M]+	104.03690	147.0
[M]-	104.03799	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe