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]+ 229.081896 146.9
[M+Na]+ 251.063838 155.4
[M-H]- 227.067344 143.0
[M+NH4]+ 246.108443 159.6
[M+K]+ 267.037778 151.1
[M+H-H2O]+ 211.071880 140.2
[M+HCOO]- 273.072821 163.2
[M+CH3COO]- 287.088471 179.7
[M+Na-2H]- 249.049286 149.7
[M]+ 228.07407142 145.9
[M]- 228.07516858 145.9
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.