CID 135426746

23190-84-3

Structural Information

Molecular Formula
C9H6N4O2
SMILES
C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C#N)[O-]
InChI
InChI=1S/C9H6N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4H,11H2
InChIKey
ZGVCESZATUMTIM-UHFFFAOYSA-N
Compound name
3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

20
Patents

202.04907 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05635 149.7
[M+Na]+ 225.03829 160.2
[M-H]- 201.04179 148.6
[M+NH4]+ 220.08289 162.6
[M+K]+ 241.01223 147.0
[M+H-H2O]+ 185.04633 144.6
[M+HCOO]- 247.04727 165.8
[M+CH3COO]- 261.06292 183.4
[M+Na-2H]- 223.02374 158.6
[M]+ 202.04852 139.5
[M]- 202.04962 139.5
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