CID 135453849

(+).b.-dioxolan-h

Structural Information

Molecular Formula
C9H10N4O4
SMILES
C1[C@H](O[C@H](O1)CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C9H10N4O4/c14-1-6-16-2-5(17-6)13-4-12-7-8(13)10-3-11-9(7)15/h3-6,14H,1-2H2,(H,10,11,15)/t5-,6-/m0/s1
InChIKey
DPWZAYJKGZRDOB-WDSKDSINSA-N
Compound name
9-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

238.0702 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.077476 147.4
[M+Na]+ 261.059418 158.3
[M-H]- 237.062924 149.7
[M+NH4]+ 256.104023 160.3
[M+K]+ 277.033358 156.7
[M+H-H2O]+ 221.067460 139.8
[M+HCOO]- 283.068401 164.0
[M+CH3COO]- 297.084051 159.6
[M+Na-2H]- 259.044866 151.8
[M]+ 238.06965142 149.5
[M]- 238.07074858 149.5
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.