CID 446696

104086-76-2

Structural Information

Molecular Formula
C9H14N3O6P
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKey
RAJMXAZJKUGYGW-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

401
Patents

291.062 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06928 160.4
[M+Na]+ 314.05122 166.8
[M-H]- 290.05472 161.3
[M+NH4]+ 309.09582 171.8
[M+K]+ 330.02516 166.4
[M+H-H2O]+ 274.05926 150.6
[M+HCOO]- 336.06020 182.9
[M+CH3COO]- 350.07585 195.3
[M+Na-2H]- 312.03667 161.6
[M]+ 291.06145 160.3
[M]- 291.06255 160.3
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