CID 452267

129151-63-9

Structural Information

Molecular Formula
C11H17N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COCP(=O)(O)O
InChI
InChI=1S/C11H17N2O7P/c1-7-4-13(11(15)12-10(7)14)9-3-2-8(20-9)5-19-6-21(16,17)18/h4,8-9H,2-3,5-6H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m0/s1
InChIKey
CRVTVTNGDKJALN-DTWKUNHWSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

320.07733 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08461 167.9
[M+Na]+ 343.06655 174.9
[M-H]- 319.07005 168.0
[M+NH4]+ 338.11115 178.2
[M+K]+ 359.04049 173.7
[M+H-H2O]+ 303.07459 158.6
[M+HCOO]- 365.07553 188.1
[M+CH3COO]- 379.09118 197.2
[M+Na-2H]- 341.05200 167.7
[M]+ 320.07678 169.5
[M]- 320.07788 169.5
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.