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
8
Annotation Hits

1043
References

109759
Patents

52.00615 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 53.013426 121.9
[M+Na]+ 74.995368 132.1
[M-H]- 50.998874 124.8
[M+NH4]+ 70.039973 138.6
[M+K]+ 90.969308 131.8
[M+H-H2O]+ 35.003410 108.6
[M+HCOO]- 97.004351 136.0
[M+CH3COO]- 111.02000 199.5
[M+Na-2H]- 72.980816 127.6
[M]+ 52.005601 114.1
[M]- 52.006699 114.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe