CID 9543245

Beta-hydroxybutyldibutyltin

Structural Information

Molecular Formula

C₁₂H₂₇OSn

SMILES

CCCC[Sn+](CCCC)CC(CC)O

InChI

InChI=1S/C4H9O.2C4H9.Sn/c1-3-4(2)5;2*1-3-4-2;/h4-5H,2-3H2,1H3;2*1,3-4H2,2H3;/q;;;+1

InChIKey

OELYTWGVFCYFKX-UHFFFAOYSA-N

Compound name

dibutyl(2-hydroxybutyl)stannanylium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.1084 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]+	308.11568	177.1
[M+Na]+	330.09762	179.9
[M-H]-	306.10112	174.4
[M+NH4]+	325.14222	194.5
[M+K]+	346.07156	172.3
[M+H-H2O]+	290.10566	173.6
[M+HCOO]-	352.10660	194.0
[M+CH3COO]-	366.12225	186.6
[M+Na-2H]-	328.08307	177.3
[M]+	307.10785	178.0
[M]-	307.10895	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.