CID 5276921

Pmdtu

Structural Information

Molecular Formula
C9H13N2O7P
SMILES
C1[C@H](CO[C@H]1N2C=CC(=O)NC2=O)OCP(=O)(O)O
InChI
InChI=1S/C9H13N2O7P/c12-7-1-2-11(9(13)10-7)8-3-6(4-17-8)18-5-19(14,15)16/h1-2,6,8H,3-5H2,(H,10,12,13)(H2,14,15,16)/t6-,8-/m1/s1
InChIKey
PFIUJIJVHBTVCC-HTRCEHHLSA-N
Compound name
[(3R,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.04605 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05333 158.6
[M+Na]+ 315.03527 165.6
[M-H]- 291.03877 158.6
[M+NH4]+ 310.07987 169.7
[M+K]+ 331.00921 164.7
[M+H-H2O]+ 275.04331 149.3
[M+HCOO]- 337.04425 179.5
[M+CH3COO]- 351.05990 189.8
[M+Na-2H]- 313.02072 160.0
[M]+ 292.04550 159.1
[M]- 292.04660 159.1
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.