CID 6475444

[(z)-2-(4-amino-2-oxo-pyrimidin-1-yl)vinyl]phosphonic acid

Structural Information

Molecular Formula
C6H8N3O4P
SMILES
C1=CN(C(=O)N=C1N)/C=C\P(=O)(O)O
InChI
InChI=1S/C6H8N3O4P/c7-5-1-2-9(6(10)8-5)3-4-14(11,12)13/h1-4H,(H2,7,8,10)(H2,11,12,13)/b4-3-
InChIKey
NHACDDAGCIEGBC-ARJAWSKDSA-N
Compound name
[(Z)-2-(4-amino-2-oxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.02524 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03252 144.9
[M+Na]+ 240.01446 153.8
[M-H]- 216.01796 142.3
[M+NH4]+ 235.05906 159.4
[M+K]+ 255.98840 150.9
[M+H-H2O]+ 200.02250 136.0
[M+HCOO]- 262.02344 169.9
[M+CH3COO]- 276.03909 181.9
[M+Na-2H]- 237.99991 148.4
[M]+ 217.02469 143.9
[M]- 217.02579 143.9
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.