CID 2063728

5368-42-3

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1CN2C(=CC(=O)C=C2C(=O)O)C(=O)N1
InChI
InChI=1S/C9H8N2O4/c12-5-3-6-8(13)10-1-2-11(6)7(4-5)9(14)15/h3-4H,1-2H2,(H,10,13)(H,14,15)
InChIKey
CUUJKDQRVIPZGO-UHFFFAOYSA-N
Compound name
1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.0484 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.055676 140.3
[M+Na]+ 231.037618 149.3
[M-H]- 207.041124 139.8
[M+NH4]+ 226.082223 156.1
[M+K]+ 247.011558 145.8
[M+H-H2O]+ 191.045660 133.6
[M+HCOO]- 253.046601 156.5
[M+CH3COO]- 267.062251 180.4
[M+Na-2H]- 229.023066 145.6
[M]+ 208.04785142 137.7
[M]- 208.04894858 137.7
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

No patent data available for this compound.