CID 16683278

Tributyltin propionate

Structural Information

Molecular Formula

C₁₅H₃₂O₂Sn

SMILES

CCCC[Sn](CCCC)(CCCC)OC(=O)CC

InChI

InChI=1S/3C4H9.C3H6O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H2,1H3,(H,4,5);/q;;;;+1/p-1

InChIKey

AHIXTTGLRFPWJF-UHFFFAOYSA-M

Compound name

tributylstannyl propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 364.14243 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]+	365.14971	183.8
[M+Na]+	387.13165	191.4
[M+NH4]+	382.17625	189.3
[M+K]+	403.10559	184.2
[M-H]-	363.13515	181.7
[M+Na-2H]-	385.11710	183.7
[M]+	364.14188	184.0
[M]-	364.14298	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe