CID 4962182

852933-91-6

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCN1C2=C(C=C(C=C2)C(=O)O)N=C(C1=O)C
InChI
InChI=1S/C12H12N2O3/c1-3-14-10-5-4-8(12(16)17)6-9(10)13-7(2)11(14)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey
XDMONCLSHJEVSR-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

232.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 148.9
[M+Na]+ 255.07402 159.8
[M-H]- 231.07752 150.4
[M+NH4]+ 250.11862 165.2
[M+K]+ 271.04796 156.2
[M+H-H2O]+ 215.08206 141.7
[M+HCOO]- 277.08300 168.1
[M+CH3COO]- 291.09865 190.9
[M+Na-2H]- 253.05947 154.3
[M]+ 232.08425 151.7
[M]- 232.08535 151.7
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