CID 12764991

81535-78-6

Structural Information

Molecular Formula

C₁₉H₃₈O₂Sn

SMILES

CCCC[Sn](CCCC)(CCCC)C#CC(OCC)OCC

InChI

InChI=1S/C7H11O2.3C4H9.Sn/c1-4-7(8-5-2)9-6-3;3*1-3-4-2;/h7H,5-6H2,2-3H3;3*1,3-4H2,2H3;

InChIKey

JBPGTOGEUMAPOI-UHFFFAOYSA-N

Compound name

tributyl(3,3-diethoxyprop-1-ynyl)stannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 418.1894 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]+	419.19668	198.1
[M+Na]+	441.17862	202.2
[M-H]-	417.18212	195.5
[M+NH4]+	436.22322	210.8
[M+K]+	457.15256	198.6
[M+H-H2O]+	401.18666	185.2
[M+HCOO]-	463.18760	209.6
[M+CH3COO]-	477.20325	219.9
[M+Na-2H]-	439.16407	195.5
[M]+	418.18885	199.9
[M]-	418.18995	199.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.