CID 9999

Cyanogen

Structural Information

Molecular Formula

C₂N₂

SMILES

C(#N)C#N

InChI

InChI=1S/C2N2/c3-1-2-4

InChIKey

JMANVNJQNLATNU-UHFFFAOYSA-N

Compound name

oxalonitrile

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1019
References: 71652
Patents: 52.00615 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]+	53.013426	140.8
[M+Na]+	74.995368	149.1
[M+NH4]+	70.039973	142.2
[M+K]+	90.969308	139.5
[M-H]-	50.998874	130.2
[M+Na-2H]-	72.980816	140.3
[M]+	52.005601	137.7
[M]-	52.006699	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe