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]+ 239.07748 147.4
[M+Na]+ 261.05942 158.3
[M-H]- 237.06292 149.7
[M+NH4]+ 256.10402 160.3
[M+K]+ 277.03336 156.7
[M+H-H2O]+ 221.06746 139.8
[M+HCOO]- 283.06840 164.0
[M+CH3COO]- 297.08405 159.6
[M+Na-2H]- 259.04487 151.8
[M]+ 238.06965 149.5
[M]- 238.07075 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.