CID 475352

140132-56-5

Structural Information

Molecular Formula
C11H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C=C2)OCP(=O)(O)O
InChI
InChI=1S/C11H15N2O6P/c1-7-5-13(11(15)12-10(7)14)8-2-3-9(4-8)19-6-20(16,17)18/h2-3,5,8-9H,4,6H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m0/s1
InChIKey
FPPFSGUPHHAWNU-DTWKUNHWSA-N
Compound name
[(1S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopent-2-en-1-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.06677 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07405 163.3
[M+Na]+ 325.05599 171.4
[M-H]- 301.05949 163.2
[M+NH4]+ 320.10059 175.9
[M+K]+ 341.02993 168.6
[M+H-H2O]+ 285.06403 154.1
[M+HCOO]- 347.06497 185.7
[M+CH3COO]- 361.08062 194.1
[M+Na-2H]- 323.04144 163.1
[M]+ 302.06622 164.3
[M]- 302.06732 164.3
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.