CID 452271

129151-68-4

Structural Information

Molecular Formula
C10H16N3O6P
SMILES
C1C[C@@H](O[C@@H]1COCP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H16N3O6P/c11-8-3-4-13(10(14)12-8)9-2-1-7(19-9)5-18-6-20(15,16)17/h3-4,7,9H,1-2,5-6H2,(H2,11,12,14)(H2,15,16,17)/t7-,9+/m0/s1
InChIKey
PUYUGXWLHRCCND-IONNQARKSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

305.07767 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08495 165.0
[M+Na]+ 328.06689 171.0
[M-H]- 304.07039 165.7
[M+NH4]+ 323.11149 175.8
[M+K]+ 344.04083 170.3
[M+H-H2O]+ 288.07493 154.9
[M+HCOO]- 350.07587 187.1
[M+CH3COO]- 364.09152 198.3
[M+Na-2H]- 326.05234 165.6
[M]+ 305.07712 165.2
[M]- 305.07822 165.2
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.