CID 135446970

766557-40-8

Structural Information

Molecular Formula
C10H7N3O4
SMILES
C1=CC=NC(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C10H7N3O4/c14-7-6(10(16)17)12-8(13-9(7)15)5-3-1-2-4-11-5/h1-4,14H,(H,16,17)(H,12,13,15)
InChIKey
GHGUXTXCARENBN-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

233.04366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.050936 148.2
[M+Na]+ 256.032878 157.9
[M-H]- 232.036384 148.0
[M+NH4]+ 251.077483 159.7
[M+K]+ 272.006818 153.2
[M+H-H2O]+ 216.040920 139.8
[M+HCOO]- 278.041861 165.4
[M+CH3COO]- 292.057511 182.4
[M+Na-2H]- 254.018326 153.6
[M]+ 233.04311142 146.6
[M]- 233.04420858 146.6
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