CID 4054533

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
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 143.8
[M+Na]+ 229.05836 155.6
[M+NH4]+ 224.10296 150.3
[M+K]+ 245.03230 151.0
[M-H]- 205.06186 143.1
[M+Na-2H]- 227.04381 147.2
[M]+ 206.06859 144.9
[M]- 206.06969 144.9
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