CID 6475442

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

Structural Information

Molecular Formula
C7H9N2O5P
SMILES
CC1=CN(C(=O)NC1=O)/C=C\P(=O)(O)O
InChI
InChI=1S/C7H9N2O5P/c1-5-4-9(2-3-15(12,13)14)7(11)8-6(5)10/h2-4H,1H3,(H,8,10,11)(H2,12,13,14)/b3-2-
InChIKey
CJDRJMRRQMXEHE-IHWYPQMZSA-N
Compound name
[(Z)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0249 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03218 147.2
[M+Na]+ 255.01412 157.1
[M-H]- 231.01762 144.0
[M+NH4]+ 250.05872 161.2
[M+K]+ 270.98806 153.6
[M+H-H2O]+ 215.02216 138.9
[M+HCOO]- 277.02310 170.3
[M+CH3COO]- 291.03875 180.6
[M+Na-2H]- 252.99957 149.9
[M]+ 232.02435 147.7
[M]- 232.02545 147.7
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.