CID 135513783

3'-deoxyinosine

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C10H12N4O4/c15-2-5-1-6(16)10(18-5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6+,10+/m0/s1
InChIKey
RPZDLTVHZJHPAW-BAJZRUMYSA-N
Compound name
9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

272
Patents

252.08586 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.8
[M+Na]+ 275.07508 165.0
[M+NH4]+ 270.11968 158.6
[M+K]+ 291.04902 165.9
[M-H]- 251.07858 153.7
[M+Na-2H]- 273.06053 156.1
[M]+ 252.08531 154.9
[M]- 252.08641 154.9
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

patents stripe