CID 259747

4594-45-0

Structural Information

Molecular Formula

C₁₀H₁₁ClN₄O₃

SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)CO)O

InChI

InChI=1S/C10H11ClN4O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2

InChIKey

PGEULCIODBNODW-UHFFFAOYSA-N

Compound name

5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 44
Patents: 270.05197 Da
Monoisotopic Mass: 0.8
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]+	271.05925	155.4
[M+Na]+	293.04119	168.5
[M+NH4]+	288.08579	161.7
[M+K]+	309.01513	167.7
[M-H]-	269.04469	156.6
[M+Na-2H]-	291.02664	159.1
[M]+	270.05142	157.6
[M]-	270.05252	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe