CID 481608

[(2s,5s)-5-(6-aminopurin-9-yl)oxy-1,3-oxathiolan-2-yl]methanol

Structural Information

Molecular Formula
C9H11N5O3S
SMILES
C1[C@@H](O[C@@H](S1)CO)ON2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O3S/c10-8-7-9(12-3-11-8)14(4-13-7)17-5-2-18-6(1-15)16-5/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6-/m0/s1
InChIKey
RYKPHLAAPYSUHB-WDSKDSINSA-N
Compound name
[(2S,5S)-5-(6-aminopurin-9-yl)oxy-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.05826 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06554 153.4
[M+Na]+ 292.04748 164.5
[M-H]- 268.05098 156.5
[M+NH4]+ 287.09208 167.7
[M+K]+ 308.02142 162.1
[M+H-H2O]+ 252.05552 146.4
[M+HCOO]- 314.05646 168.4
[M+CH3COO]- 328.07211 165.4
[M+Na-2H]- 290.03293 155.3
[M]+ 269.05771 157.1
[M]- 269.05881 157.1
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

No patent data available for this compound.