CID 135418295

42867-68-5

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₃

SMILES

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

InChI

InChI=1S/C10H10N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h1-2,4-7,15H,3H2,(H,11,12,16)/t6-,7+/m0/s1

InChIKey

TYQPBHYPIRLWKU-NKWVEPMBSA-N

Compound name

9-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 86
Patents: 234.07529 Da
Monoisotopic Mass: -0.6
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]+	235.08257	147.5
[M+Na]+	257.06451	158.9
[M-H]-	233.06801	149.5
[M+NH4]+	252.10911	162.0
[M+K]+	273.03845	155.5
[M+H-H2O]+	217.07255	139.5
[M+HCOO]-	279.07349	166.0
[M+CH3COO]-	293.08914	159.9
[M+Na-2H]-	255.04996	152.0
[M]+	234.07474	149.3
[M]-	234.07584	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe