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

5
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

literature stripe

Patent stripe

patents stripe