CID 6334738

Ddu-hp

Structural Information

Molecular Formula
C9H12N2O6P
SMILES
C1C[C@@H](O[C@@H]1CO[P+](=O)O)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H11N2O6P/c12-7-3-4-11(9(13)10-7)8-2-1-6(17-8)5-16-18(14)15/h3-4,6,8H,1-2,5H2,(H-,10,12,13,14,15)/p+1/t6-,8+/m0/s1
InChIKey
OOGVEAUTZGCGCP-POYBYMJQSA-O
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0433 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05058 154.9
[M+Na]+ 298.03252 161.9
[M-H]- 274.03602 156.6
[M+NH4]+ 293.07712 167.2
[M+K]+ 314.00646 155.6
[M+H-H2O]+ 258.04056 147.8
[M+HCOO]- 320.04150 177.6
[M+CH3COO]- 334.05715 182.4
[M+Na-2H]- 296.01797 157.3
[M]+ 275.04275 154.4
[M]- 275.04385 154.4
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

patents stripe