CID 6475449

[(z)-2-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]vinyl]phosphonic acid

Structural Information

Molecular Formula
C7H9N2O6P
SMILES
C1=C(C(=O)NC(=O)N1/C=C\P(=O)(O)O)CO
InChI
InChI=1S/C7H9N2O6P/c10-4-5-3-9(1-2-16(13,14)15)7(12)8-6(5)11/h1-3,10H,4H2,(H,8,11,12)(H2,13,14,15)/b2-1-
InChIKey
YLVZUHBBOWAVGE-UPHRSURJSA-N
Compound name
[(Z)-2-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.01982 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02710 150.6
[M+Na]+ 271.00904 159.8
[M-H]- 247.01254 146.0
[M+NH4]+ 266.05364 163.1
[M+K]+ 286.98298 156.1
[M+H-H2O]+ 231.01708 142.2
[M+HCOO]- 293.01802 172.3
[M+CH3COO]- 307.03367 180.8
[M+Na-2H]- 268.99449 153.0
[M]+ 248.01927 150.6
[M]- 248.02037 150.6
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.