CID 6334963

[(2r,4r)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxyphosphinic acid

Structural Information

Molecular Formula
C9H12N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)CO[P+](=O)O
InChI
InChI=1S/C9H11N2O7P/c1-5-2-11(9(13)10-8(5)12)6-3-16-7(18-6)4-17-19(14)15/h2,6-7H,3-4H2,1H3,(H-,10,12,13,14,15)/p+1/t6-,7-/m1/s1
InChIKey
NRONSNSCGKXMEJ-RNFRBKRXSA-O
Compound name
hydroxy-[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0382 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04548 158.9
[M+Na]+ 314.02742 166.7
[M-H]- 290.03092 161.6
[M+NH4]+ 309.07202 169.4
[M+K]+ 330.00136 161.7
[M+H-H2O]+ 274.03546 152.0
[M+HCOO]- 336.03640 180.7
[M+CH3COO]- 350.05205 186.5
[M+Na-2H]- 312.01287 161.5
[M]+ 291.03765 160.7
[M]- 291.03875 160.7
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.