CID 19474

1-cyclobutene-1,2-dicarbonitrile

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: 25
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	127.2
[M+Na]+	127.02666	136.1
[M-H]-	103.03017	131.6
[M+NH4]+	122.07127	138.5
[M+K]+	143.00060	138.6
[M+H-H2O]+	87.034705	110.4
[M+HCOO]-	149.03565	140.4
[M+CH3COO]-	163.05130	208.1
[M+Na-2H]-	125.01211	131.8
[M]+	104.03690	125.3
[M]-	104.03799	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe