CID 291530

4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=NC=C(C(=O)N2C=C1)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-6(9(13)14)5-10-7-3-1-2-4-11(7)8/h1-5H,(H,13,14)
InChIKey
YGHFAYBPBVHKHY-UHFFFAOYSA-N
Compound name
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

190.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 135.2
[M+Na]+ 213.02706 145.6
[M-H]- 189.03056 136.5
[M+NH4]+ 208.07166 152.5
[M+K]+ 229.00100 142.6
[M+H-H2O]+ 173.03510 128.1
[M+HCOO]- 235.03604 155.5
[M+CH3COO]- 249.05169 179.4
[M+Na-2H]- 211.01251 143.7
[M]+ 190.03729 136.1
[M]- 190.03839 136.1
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