CID 3064498

Brn 5558417

Structural Information

Molecular Formula

C₉H₁₃N₅OS

SMILES

CN1C=NC2=C1C(=NC(=N2)SC)NCCO

InChI

InChI=1S/C9H13N5OS/c1-14-5-11-8-6(14)7(10-3-4-15)12-9(13-8)16-2/h5,15H,3-4H2,1-2H3,(H,10,12,13)

InChIKey

NJBHDAQJSMGJKA-UHFFFAOYSA-N

Compound name

2-[(7-methyl-2-methylsulfanylpurin-6-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.08408 Da
Monoisotopic Mass: 0.5
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]+	240.09136	151.8
[M+Na]+	262.07330	164.0
[M+NH4]+	257.11790	158.6
[M+K]+	278.04724	158.2
[M-H]-	238.07680	151.9
[M+Na-2H]-	260.05875	156.1
[M]+	239.08353	153.8
[M]-	239.08463	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.