CID 454121

Nsc639758

Structural Information

Molecular Formula
C10H12N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OC=O
InChI
InChI=1S/C10H12N2O6/c13-4-7-6(17-5-14)3-9(18-7)12-2-1-8(15)11-10(12)16/h1-2,5-7,9,13H,3-4H2,(H,11,15,16)/t6-,7+,9+/m0/s1
InChIKey
XYFDMQPUIMVSCH-LKEWCRSYSA-N
Compound name
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06955 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07683 150.3
[M+Na]+ 279.05877 159.5
[M-H]- 255.06227 153.1
[M+NH4]+ 274.10337 163.7
[M+K]+ 295.03271 157.6
[M+H-H2O]+ 239.06681 143.0
[M+HCOO]- 301.06775 169.0
[M+CH3COO]- 315.08340 186.6
[M+Na-2H]- 277.04422 153.2
[M]+ 256.06900 151.9
[M]- 256.07010 151.9
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.