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]+ 209.05568 140.3
[M+Na]+ 231.03762 149.3
[M-H]- 207.04112 139.8
[M+NH4]+ 226.08222 156.1
[M+K]+ 247.01156 145.8
[M+H-H2O]+ 191.04566 133.6
[M+HCOO]- 253.04660 156.5
[M+CH3COO]- 267.06225 180.4
[M+Na-2H]- 229.02307 145.6
[M]+ 208.04785 137.7
[M]- 208.04895 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.