CID 481598

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

Structural Information

Molecular Formula
C10H12N4O5
SMILES
COC1=NC=NC2=C1N=CN2O[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H12N4O5/c1-16-10-8-9(11-4-12-10)14(5-13-8)19-7-3-17-6(2-15)18-7/h4-7,15H,2-3H2,1H3/t6-,7+/m1/s1
InChIKey
YFLMIDNASNMQDA-RQJHMYQMSA-N
Compound name
[(2R,4S)-4-(6-methoxypurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08078 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 153.3
[M+Na]+ 291.07000 163.6
[M-H]- 267.07350 156.8
[M+NH4]+ 286.11460 165.6
[M+K]+ 307.04394 163.9
[M+H-H2O]+ 251.07804 145.2
[M+HCOO]- 313.07898 171.1
[M+CH3COO]- 327.09463 165.6
[M+Na-2H]- 289.05545 157.9
[M]+ 268.08023 159.6
[M]- 268.08133 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.