CID 29076988

1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O4
SMILES
CN1C2=C(C=C(C=C2)C(=O)O)NC(=O)C1=O
InChI
InChI=1S/C10H8N2O4/c1-12-7-3-2-5(10(15)16)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13)(H,15,16)
InChIKey
XVOKARRKLIHOER-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 142.3
[M+Na]+ 243.037618 153.9
[M-H]- 219.041124 142.9
[M+NH4]+ 238.082223 158.2
[M+K]+ 259.011558 149.8
[M+H-H2O]+ 203.045660 135.7
[M+HCOO]- 265.046601 161.1
[M+CH3COO]- 279.062251 184.0
[M+Na-2H]- 241.023066 148.4
[M]+ 220.04785142 143.4
[M]- 220.04894858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe