CID 452591

132194-21-9

Structural Information

Molecular Formula

C₁₀H₁₂FN₅O₂

SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3F)N

InChI

InChI=1S/C10H12FN5O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1

InChIKey

WGGSHIMNNHZRNU-NTSWFWBYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 253.0975 Da
Monoisotopic Mass: -0.1
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]+	254.10478	152.7
[M+Na]+	276.08672	163.6
[M-H]-	252.09022	154.2
[M+NH4]+	271.13132	166.9
[M+K]+	292.06066	160.3
[M+H-H2O]+	236.09476	143.5
[M+HCOO]-	298.09570	170.4
[M+CH3COO]-	312.11135	164.4
[M+Na-2H]-	274.07217	155.2
[M]+	253.09695	152.2
[M]-	253.09805	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe