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]+ 221.05568 142.3
[M+Na]+ 243.03762 153.9
[M-H]- 219.04112 142.9
[M+NH4]+ 238.08222 158.2
[M+K]+ 259.01156 149.8
[M+H-H2O]+ 203.04566 135.7
[M+HCOO]- 265.04660 161.1
[M+CH3COO]- 279.06225 184.0
[M+Na-2H]- 241.02307 148.4
[M]+ 220.04785 143.4
[M]- 220.04895 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