CID 452597

6-i-ddp

Structural Information

Molecular Formula

C₁₀H₁₁IN₄O₂

SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3I

InChI

InChI=1S/C10H11IN4O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2/t6-,7+/m0/s1

InChIKey

OAVOLNUBQURQIX-NKWVEPMBSA-N

Compound name

[(2S,5R)-5-(6-iodopurin-9-yl)oxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 345.99268 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]+	346.99996	150.1
[M+Na]+	368.98190	153.7
[M-H]-	344.98540	145.8
[M+NH4]+	364.02650	160.6
[M+K]+	384.95584	156.8
[M+H-H2O]+	328.98994	138.5
[M+HCOO]-	390.99088	163.6
[M+CH3COO]-	405.00653	158.4
[M+Na-2H]-	366.96735	142.9
[M]+	345.99213	149.2
[M]-	345.99323	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe