CID 4120764

5,6-diamino-2,3-dicyanopyrazine

Structural Information

Molecular Formula
C6H4N6
SMILES
C(#N)C1=C(N=C(C(=N1)N)N)C#N
InChI
InChI=1S/C6H4N6/c7-1-3-4(2-8)12-6(10)5(9)11-3/h(H2,9,11)(H2,10,12)
InChIKey
FTHBTDDIVWLRLP-UHFFFAOYSA-N
Compound name
5,6-diaminopyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

568
Patents

160.04974 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.057016 145.5
[M+Na]+ 183.038958 154.6
[M-H]- 159.042464 145.9
[M+NH4]+ 178.083563 156.2
[M+K]+ 199.012898 153.4
[M+H-H2O]+ 143.047000 128.9
[M+HCOO]- 205.047941 157.4
[M+CH3COO]- 219.063591 214.9
[M+Na-2H]- 181.024406 147.8
[M]+ 160.04919142 134.9
[M]- 160.05028858 134.9
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