CID 494084

(2r,3s,5s)-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=NC3=CN=CN=C32)CO)O
InChI
InChI=1S/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8+,9-/m0/s1
InChIKey
WJBNIBFTNGZFBW-YIZRAAEISA-N
Compound name
(2R,3S,5S)-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 149.1
[M+Na]+ 259.08016 159.3
[M-H]- 235.08366 150.7
[M+NH4]+ 254.12476 163.5
[M+K]+ 275.05410 156.7
[M+H-H2O]+ 219.08820 141.0
[M+HCOO]- 281.08914 166.1
[M+CH3COO]- 295.10479 160.9
[M+Na-2H]- 257.06561 152.7
[M]+ 236.09039 150.3
[M]- 236.09149 150.3
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.