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	191.0
[M+Na]+	387.13165	193.9
[M-H]-	363.13515	189.1
[M+NH4]+	382.17625	207.2
[M+K]+	403.10559	191.6
[M+H-H2O]+	347.13969	184.3
[M+HCOO]-	409.14063	208.5
[M+CH3COO]-	423.15628	205.0
[M+Na-2H]-	385.11710	190.0
[M]+	364.14188	197.2
[M]-	364.14298	197.2

Literature stripe

literature stripe

Patent stripe

patents stripe