CID 189023

Dtxsid90932740

Structural Information

Molecular Formula
C10H12N2O7
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)C(=O)O)CO)O
InChI
InChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7-/m0/s1
InChIKey
GAGYTXTVUMXAOC-XVMARJQXSA-N
Compound name
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06445 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07173 154.4
[M+Na]+ 295.05367 162.9
[M-H]- 271.05717 155.0
[M+NH4]+ 290.09827 165.7
[M+K]+ 311.02761 160.7
[M+H-H2O]+ 255.06171 147.7
[M+HCOO]- 317.06265 169.1
[M+CH3COO]- 331.07830 187.2
[M+Na-2H]- 293.03912 154.6
[M]+ 272.06390 153.6
[M]- 272.06500 153.6
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.