CID 472823

94714-47-3

Structural Information

Molecular Formula

C₁₀H₁₄N₆O₂

SMILES

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

InChI

InChI=1S/C10H14N6O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2,11H2,(H2,12,13,14)/t5-,6+,10+/m0/s1

InChIKey

GLQYPFSENCOPOS-BAJZRUMYSA-N

Compound name

[(2S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 250.11783 Da
Monoisotopic Mass: -1.5
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]+	251.12511	153.5
[M+Na]+	273.10705	163.4
[M-H]-	249.11055	156.1
[M+NH4]+	268.15165	167.3
[M+K]+	289.08099	160.3
[M+H-H2O]+	233.11509	144.9
[M+HCOO]-	295.11603	172.7
[M+CH3COO]-	309.13168	165.0
[M+Na-2H]-	271.09250	156.4
[M]+	250.11728	152.4
[M]-	250.11838	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe