CID 3101125

2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)acetic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1C(=O)NC2=CC=CC=C2N1CC(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9-5-12(6-10(14)15)8-4-2-1-3-7(8)11-9/h1-4H,5-6H2,(H,11,13)(H,14,15)
InChIKey
SXJZOGPXQRFWSC-UHFFFAOYSA-N
Compound name
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
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 143.0
[M+Na]+ 229.05836 150.5
[M-H]- 205.06186 142.0
[M+NH4]+ 224.10296 158.8
[M+K]+ 245.03230 146.8
[M+H-H2O]+ 189.06640 136.0
[M+HCOO]- 251.06734 158.6
[M+CH3COO]- 265.08299 180.6
[M+Na-2H]- 227.04381 148.5
[M]+ 206.06859 139.6
[M]- 206.06969 139.6
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