CID 332586

40016-70-4

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OC
InChI
InChI=1S/C11H10N2O4/c1-7-10(11(14)17-2)13(16)9-6-4-3-5-8(9)12(7)15/h3-6H,1-2H3
InChIKey
SSXXUNNLZOOPGP-UHFFFAOYSA-N
Compound name
methyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

234.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.5
[M+Na]+ 257.05328 158.2
[M-H]- 233.05678 149.3
[M+NH4]+ 252.09788 163.2
[M+K]+ 273.02722 150.8
[M+H-H2O]+ 217.06132 145.0
[M+HCOO]- 279.06226 167.8
[M+CH3COO]- 293.07791 181.4
[M+Na-2H]- 255.03873 155.8
[M]+ 234.06351 149.1
[M]- 234.06461 149.1
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