CID 451933

(s)-hpmpu

Structural Information

Molecular Formula
C8H13N2O7P
SMILES
C1=CN(C(=O)NC1=O)C[C@@H](CO)OCP(=O)(O)O
InChI
InChI=1S/C8H13N2O7P/c11-4-6(17-5-18(14,15)16)3-10-2-1-7(12)9-8(10)13/h1-2,6,11H,3-5H2,(H,9,12,13)(H2,14,15,16)/t6-/m0/s1
InChIKey
MCYURQCJVZLZBB-LURJTMIESA-N
Compound name
[(2S)-1-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

280.04605 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05333 157.6
[M+Na]+ 303.03527 164.5
[M-H]- 279.03877 152.4
[M+NH4]+ 298.07987 168.2
[M+K]+ 319.00921 162.5
[M+H-H2O]+ 263.04331 148.5
[M+HCOO]- 325.04425 178.0
[M+CH3COO]- 339.05990 187.3
[M+Na-2H]- 301.02072 159.3
[M]+ 280.04550 159.1
[M]- 280.04660 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.