CID 481594

[(2r,4s)-4-(6-chloropurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C9H9ClN4O4
SMILES
C1[C@@H](O[C@@H](O1)CO)ON2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C9H9ClN4O4/c10-8-7-9(12-3-11-8)14(4-13-7)18-6-2-16-5(1-15)17-6/h3-6,15H,1-2H2/t5-,6+/m1/s1
InChIKey
WDYRZGTZDQEIOI-RITPCOANSA-N
Compound name
[(2R,4S)-4-(6-chloropurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.03122 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03850 153.4
[M+Na]+ 295.02044 164.8
[M-H]- 271.02394 156.6
[M+NH4]+ 290.06504 166.3
[M+K]+ 310.99438 163.3
[M+H-H2O]+ 255.02848 145.3
[M+HCOO]- 317.02942 166.4
[M+CH3COO]- 331.04507 165.6
[M+Na-2H]- 293.00589 157.6
[M]+ 272.03067 159.5
[M]- 272.03177 159.5
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.