CID 16683570

Nsc633508

Structural Information

Molecular Formula

C₁₁H₂₄O₂Sn

SMILES

CCCC[Sn]1(OCC(O1)C)CCCC

InChI

InChI=1S/2C4H9.C3H6O2.Sn/c2*1-3-4-2;1-3(5)2-4;/h2*1,3-4H2,2H3;3H,2H2,1H3;/q;;-2;+2

InChIKey

PSGQJORUIXABPI-UHFFFAOYSA-N

Compound name

2,2-dibutyl-4-methyl-1,3,2-dioxastannolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 308.07983 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]+	309.08711	168.9
[M+Na]+	331.06905	174.0
[M-H]-	307.07255	172.1
[M+NH4]+	326.11365	188.4
[M+K]+	347.04299	174.3
[M+H-H2O]+	291.07709	163.5
[M+HCOO]-	353.07803	187.6
[M+CH3COO]-	367.09368	190.1
[M+Na-2H]-	329.05450	171.7
[M]+	308.07928	172.5
[M]-	308.08038	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe