CID 135412839

117947-01-0

Structural Information

Molecular Formula
C10H13N4O6P
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C10H13N4O6P/c15-10-8-9(11-4-12-10)14(5-13-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H,11,12,15)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey
BMTWSILZBROYGX-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

316.05728 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06456 165.7
[M+Na]+ 339.04650 173.5
[M-H]- 315.05000 164.9
[M+NH4]+ 334.09110 175.8
[M+K]+ 355.02044 172.3
[M+H-H2O]+ 299.05454 155.8
[M+HCOO]- 361.05548 184.8
[M+CH3COO]- 375.07113 194.9
[M+Na-2H]- 337.03195 166.7
[M]+ 316.05673 167.3
[M]- 316.05783 167.3
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