CID 5276916

Pmtt

Structural Information

Molecular Formula
C10H15N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OCP(=O)(O)O)O
InChI
InChI=1S/C10H15N2O8P/c1-5-2-12(10(15)11-8(5)14)9-7(13)6(3-19-9)20-4-21(16,17)18/h2,6-7,9,13H,3-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKey
QGPRFLWCTPUYOD-LKEWCRSYSA-N
Compound name
[(3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

322.0566 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06388 166.1
[M+Na]+ 345.04582 173.6
[M-H]- 321.04932 165.4
[M+NH4]+ 340.09042 175.8
[M+K]+ 361.01976 172.6
[M+H-H2O]+ 305.05386 157.3
[M+HCOO]- 367.05480 185.2
[M+CH3COO]- 381.07045 196.1
[M+Na-2H]- 343.03127 165.7
[M]+ 322.05605 167.4
[M]- 322.05715 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe