CID 475255

2-[3-(6-amino-purin-9-yl)-tetrahydro-furan-2-yl]-ethanol

Structural Information

Molecular Formula

C₁₁H₁₅N₅O₂

SMILES

C1CO[C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)CCO

InChI

InChI=1S/C11H15N5O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-2-4-18-8(7)1-3-17/h5-8,17H,1-4H2,(H2,12,13,14)/t7-,8-/m1/s1

InChIKey

WAYKFLZKUSHQNM-HTQZYQBOSA-N

Compound name

2-[(2R,3R)-3-(6-aminopurin-9-yl)oxolan-2-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.12257 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]+	250.129846	153.9
[M+Na]+	272.111788	163.4
[M-H]-	248.115294	156.2
[M+NH4]+	267.156393	168.0
[M+K]+	288.085728	160.4
[M+H-H2O]+	232.119830	145.1
[M+HCOO]-	294.120771	172.3
[M+CH3COO]-	308.136421	165.4
[M+Na-2H]-	270.097236	157.2
[M]+	249.12202142	154.3
[M]-	249.12311858	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.