CID 81144

6639-86-7

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=C[N+](=O)C2=CC=CC=C2N1[O-]
InChI
InChI=1S/C9H8N2O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
InChIKey
PZUHHXFIMAEXGO-UHFFFAOYSA-N
Compound name
3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

106
Patents

176.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.2
[M+Na]+ 199.047798 144.2
[M-H]- 175.051304 134.8
[M+NH4]+ 194.092403 151.3
[M+K]+ 215.021738 136.3
[M+H-H2O]+ 159.055840 131.1
[M+HCOO]- 221.056781 154.7
[M+CH3COO]- 235.072431 170.9
[M+Na-2H]- 197.033246 144.1
[M]+ 176.05803142 132.4
[M]- 176.05912858 132.4
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