CID 10894129

Ethyl 2-(tributylstannyl)acetate

Structural Information

Molecular Formula

C₁₆H₃₄O₂Sn

SMILES

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

InChI

InChI=1S/C4H7O2.3C4H9.Sn/c1-3-6-4(2)5;3*1-3-4-2;/h2-3H2,1H3;3*1,3-4H2,2H3;

InChIKey

FZSMFBPOVGYFEA-UHFFFAOYSA-N

Compound name

ethyl 2-tributylstannylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 378.15808 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]+	379.16536	195.6
[M+Na]+	401.14730	198.1
[M-H]-	377.15080	193.4
[M+NH4]+	396.19190	211.2
[M+K]+	417.12124	195.5
[M+H-H2O]+	361.15534	188.6
[M+HCOO]-	423.15628	212.7
[M+CH3COO]-	437.17193	207.9
[M+Na-2H]-	399.13275	194.1
[M]+	378.15753	202.2
[M]-	378.15863	202.2

Literature stripe

literature stripe

Patent stripe

patents stripe