CID 135508927

9-(2(r)-hydroxymethyl-1,3-dioxolan-4(s)-yloxy)-9h-purin-6(1h)-one

Structural Information

Molecular Formula
C9H10N4O5
SMILES
C1[C@@H](O[C@@H](O1)CO)ON2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C9H10N4O5/c14-1-5-16-2-6(17-5)18-13-4-12-7-8(13)10-3-11-9(7)15/h3-6,14H,1-2H2,(H,10,11,15)/t5-,6+/m1/s1
InChIKey
BYPIQYANEITLDX-RITPCOANSA-N
Compound name
9-[[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]oxy]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.06512 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07240 149.3
[M+Na]+ 277.05434 159.8
[M-H]- 253.05784 151.6
[M+NH4]+ 272.09894 161.3
[M+K]+ 293.02828 158.8
[M+H-H2O]+ 237.06238 141.5
[M+HCOO]- 299.06332 166.0
[M+CH3COO]- 313.07897 161.3
[M+Na-2H]- 275.03979 153.9
[M]+ 254.06457 152.7
[M]- 254.06567 152.7
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.