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 146.9
[M+Na]+ 251.06384 155.4
[M-H]- 227.06734 143.0
[M+NH4]+ 246.10844 159.6
[M+K]+ 267.03778 151.1
[M+H-H2O]+ 211.07188 140.2
[M+HCOO]- 273.07282 163.2
[M+CH3COO]- 287.08847 179.7
[M+Na-2H]- 249.04929 149.7
[M]+ 228.07407 145.9
[M]- 228.07517 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.