CID 16682788

Dibutyltin mercaptoacetate

Structural Information

Molecular Formula

C₁₀H₂₀O₂SSn

SMILES

CCCC[Sn]1(OC(=O)CS1)CCCC

InChI

InChI=1S/2C4H9.C2H4O2S.Sn/c2*1-3-4-2;3-2(4)1-5;/h2*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2

InChIKey

OLOQHZSCBTUIGQ-UHFFFAOYSA-L

Compound name

2,2-dibutyl-1,3,2-oxathiastannolan-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 293
Patents: 324.0206 Da
Monoisotopic Mass: None
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]+	325.02788	168.9
[M+Na]+	347.00982	174.8
[M-H]-	323.01332	171.8
[M+NH4]+	342.05442	189.6
[M+K]+	362.98376	173.2
[M+H-H2O]+	307.01786	163.5
[M+HCOO]-	369.01880	184.0
[M+CH3COO]-	383.03445	189.8
[M+Na-2H]-	344.99527	168.3
[M]+	324.02005	173.1
[M]-	324.02115	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe