CID 82791421

1541528-59-9

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN1CC(=O)NC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-12-5-9(13)11-7-3-2-6(10(14)15)4-8(7)12/h2-4H,5H2,1H3,(H,11,13)(H,14,15)
InChIKey
CLGMDDOABUFGCU-UHFFFAOYSA-N
Compound name
4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 143.1
[M+Na]+ 229.05836 151.6
[M-H]- 205.06186 142.4
[M+NH4]+ 224.10296 159.2
[M+K]+ 245.03230 147.9
[M+H-H2O]+ 189.06640 136.4
[M+HCOO]- 251.06734 158.6
[M+CH3COO]- 265.08299 181.8
[M+Na-2H]- 227.04381 147.9
[M]+ 206.06859 140.1
[M]- 206.06969 140.1
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.