CID 6334735

Ddc-hp

Structural Information

Molecular Formula
C9H13N3O5P
SMILES
C1C[C@@H](O[C@@H]1CO[P+](=O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H12N3O5P/c10-7-3-4-12(9(13)11-7)8-2-1-6(17-8)5-16-18(14)15/h3-4,6,8H,1-2,5H2,(H2-,10,11,13,14,15)/p+1/t6-,8+/m0/s1
InChIKey
PZBCAVGLXLNZCZ-POYBYMJQSA-O
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.0593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06658 156.3
[M+Na]+ 297.04852 162.7
[M-H]- 273.05202 158.7
[M+NH4]+ 292.09312 168.8
[M+K]+ 313.02246 156.7
[M+H-H2O]+ 257.05656 148.6
[M+HCOO]- 319.05750 180.5
[M+CH3COO]- 333.07315 188.0
[M+Na-2H]- 295.03397 158.5
[M]+ 274.05875 155.1
[M]- 274.05985 155.1
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