CID 2095691

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

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CCN1C2=C(C=C(C=C2)C(=O)O)NC(=O)C1=O
InChI
InChI=1S/C11H10N2O4/c1-2-13-8-4-3-6(11(16)17)5-7(8)12-9(14)10(13)15/h3-5H,2H2,1H3,(H,12,14)(H,16,17)
InChIKey
FYFZKHVVUSQPKC-UHFFFAOYSA-N
Compound name
1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.0
[M+Na]+ 257.05328 158.0
[M-H]- 233.05678 147.3
[M+NH4]+ 252.09788 162.3
[M+K]+ 273.02722 153.7
[M+H-H2O]+ 217.06132 140.1
[M+HCOO]- 279.06226 165.4
[M+CH3COO]- 293.07791 187.1
[M+Na-2H]- 255.03873 152.5
[M]+ 234.06351 148.3
[M]- 234.06461 148.3
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

No patent data available for this compound.