CID 12679375

5-(2,4,6-trihydroxy-5-pyrimidinyl)pentanoic acid

Structural Information

Molecular Formula
C9H12N2O5
SMILES
C(CCC(=O)O)CC1=C(NC(=O)NC1=O)O
InChI
InChI=1S/C9H12N2O5/c12-6(13)4-2-1-3-5-7(14)10-9(16)11-8(5)15/h1-4H2,(H,12,13)(H3,10,11,14,15,16)
InChIKey
OWUMSRYPCPALIL-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07462 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 148.7
[M+Na]+ 251.06384 158.4
[M+NH4]+ 246.10844 151.8
[M+K]+ 267.03778 155.9
[M-H]- 227.06734 144.8
[M+Na-2H]- 249.04929 150.1
[M]+ 228.07407 148.3
[M]- 228.07517 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.