CID 454981

(-).b.dioxol-6clpur

Structural Information

Molecular Formula
C9H9ClN4O3
SMILES
C1C(O[C@@H](O1)CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C9H9ClN4O3/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2/t5?,6-/m1/s1
InChIKey
IMTIRYGJNHZVIL-PRJDIBJQSA-N
Compound name
[(2R)-4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.03632 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04360 151.7
[M+Na]+ 279.02554 163.4
[M-H]- 255.02904 154.8
[M+NH4]+ 274.07014 165.3
[M+K]+ 294.99948 161.2
[M+H-H2O]+ 239.03358 143.6
[M+HCOO]- 301.03452 164.5
[M+CH3COO]- 315.05017 164.0
[M+Na-2H]- 277.01099 155.7
[M]+ 256.03577 156.4
[M]- 256.03687 156.4
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.