CID 454180

Pur-ddisonucl

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₂

SMILES

C1[C@H](CO[C@H]1CO)N2C=NC3=CN=CN=C32

InChI

InChI=1S/C10H12N4O2/c15-3-8-1-7(4-16-8)14-6-13-9-2-11-5-12-10(9)14/h2,5-8,15H,1,3-4H2/t7-,8-/m1/s1

InChIKey

JKBHSTXXELWFTA-HTQZYQBOSA-N

Compound name

[(2R,4R)-4-purin-9-yloxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.09602 Da
Monoisotopic Mass: -0.9
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]+	221.10330	145.4
[M+Na]+	243.08524	155.3
[M-H]-	219.08874	147.8
[M+NH4]+	238.12984	160.9
[M+K]+	259.05918	153.0
[M+H-H2O]+	203.09328	136.8
[M+HCOO]-	265.09422	163.7
[M+CH3COO]-	279.10987	157.7
[M+Na-2H]-	241.07069	150.0
[M]+	220.09547	146.5
[M]-	220.09657	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.