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 157.2
[M+Na]+ 295.05367 165.9
[M+NH4]+ 290.09827 159.7
[M+K]+ 311.02761 167.4
[M-H]- 271.05717 155.4
[M+Na-2H]- 293.03912 157.2
[M]+ 272.06390 157.2
[M]- 272.06500 157.2
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.