CID 5276917

Pmtu

Structural Information

Molecular Formula
C9H13N2O8P
SMILES
C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)OCP(=O)(O)O
InChI
InChI=1S/C9H13N2O8P/c12-6-1-2-11(9(14)10-6)8-7(13)5(3-18-8)19-4-20(15,16)17/h1-2,5,7-8,13H,3-4H2,(H,10,12,14)(H2,15,16,17)/t5-,7+,8+/m0/s1
InChIKey
MMYKVDIKWDVNJX-UIISKDMLSA-N
Compound name
[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

308.04095 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04823 161.4
[M+Na]+ 331.03017 168.4
[M-H]- 307.03367 160.4
[M+NH4]+ 326.07477 171.2
[M+K]+ 347.00411 167.5
[M+H-H2O]+ 291.03821 152.3
[M+HCOO]- 353.03915 180.8
[M+CH3COO]- 367.05480 191.6
[M+Na-2H]- 329.01562 162.0
[M]+ 308.04040 161.8
[M]- 308.04150 161.8
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