CID 135443574

51420-57-6

Structural Information

Molecular Formula
C10H8N4O2
SMILES
CC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])N)C#N)[O-]
InChI
InChI=1S/C10H8N4O2/c1-6-2-3-7-8(4-6)14(16)10(12)9(5-11)13(7)15/h2-4H,12H2,1H3
InChIKey
SWMWPNNMMSNYNP-UHFFFAOYSA-N
Compound name
3-amino-6-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

216.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07201 154.2
[M+Na]+ 239.05395 165.0
[M-H]- 215.05745 153.3
[M+NH4]+ 234.09855 166.9
[M+K]+ 255.02789 151.7
[M+H-H2O]+ 199.06199 149.1
[M+HCOO]- 261.06293 170.0
[M+CH3COO]- 275.07858 187.0
[M+Na-2H]- 237.03940 162.0
[M]+ 216.06418 144.6
[M]- 216.06528 144.6
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

No patent data available for this compound.