CID 3579846

Tin arsenide

Structural Information

Molecular Formula

C₈H₁₀N₄O₂S

SMILES

C1=NC2=C(N1)C(=NC=N2)SCC(CO)O

InChI

InChI=1S/C8H10N4O2S/c13-1-5(14)2-15-8-6-7(10-3-9-6)11-4-12-8/h3-5,13-14H,1-2H2,(H,9,10,11,12)

InChIKey

OPKFIKAYNXEJQA-UHFFFAOYSA-N

Compound name

3-(7H-purin-6-ylsulfanyl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.05244 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]+	227.059716	145.2
[M+Na]+	249.041658	155.3
[M-H]-	225.045164	141.4
[M+NH4]+	244.086263	159.7
[M+K]+	265.015598	150.4
[M+H-H2O]+	209.049700	138.4
[M+HCOO]-	271.050641	157.0
[M+CH3COO]-	285.066291	156.0
[M+Na-2H]-	247.027106	149.1
[M]+	226.05189142	147.3
[M]-	226.05298858	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.