CID 135538751

Iso-ddi

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₃

SMILES

C1[C@H](CO[C@H]1CO)N2C=NC3=C2N=CNC3=O

InChI

InChI=1S/C10H12N4O3/c15-2-7-1-6(3-17-7)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7-/m1/s1

InChIKey

OENKSAWKKLMVEL-RNFRBKRXSA-N

Compound name

9-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.09094 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.098216	149.0
[M+Na]+	259.080158	159.4
[M-H]-	235.083664	150.5
[M+NH4]+	254.124763	163.3
[M+K]+	275.054098	156.2
[M+H-H2O]+	219.088200	140.9
[M+HCOO]-	281.089141	166.1
[M+CH3COO]-	295.104791	160.8
[M+Na-2H]-	257.065606	152.5
[M]+	236.09039142	149.4
[M]-	236.09148858	149.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.