CID 454986

(-).b.dioxol-6meopur

Structural Information

Molecular Formula
C10H12N4O4
SMILES
COC1=NC=NC2=C1N=CN2[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H12N4O4/c1-16-10-8-9(11-4-12-10)14(5-13-8)6-3-17-7(2-15)18-6/h4-7,15H,2-3H2,1H3/t6-,7-/m1/s1
InChIKey
BCHSZIJLJINNKF-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.08586 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 151.5
[M+Na]+ 275.07508 162.0
[M-H]- 251.07858 154.9
[M+NH4]+ 270.11968 164.5
[M+K]+ 291.04902 161.7
[M+H-H2O]+ 235.08312 143.4
[M+HCOO]- 297.08406 169.1
[M+CH3COO]- 311.09971 163.9
[M+Na-2H]- 273.06053 155.9
[M]+ 252.08531 156.4
[M]- 252.08641 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.