CID 83370

Stannane, hydroxyoctyloxo-

Structural Information

Molecular Formula

C₈H₁₈O₂Sn

SMILES

CCCCCCCC[Sn](=O)O

InChI

InChI=1S/C8H17.H2O.O.Sn/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;1H2;;/q;;;+1/p-1

InChIKey

PTEQOGYHCSJZIZ-UHFFFAOYSA-M

Compound name

hydroxy-octyl-oxotin

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 266.03287 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]+	267.04015	159.6
[M+Na]+	289.02209	164.3
[M-H]-	265.02559	157.1
[M+NH4]+	284.06669	178.7
[M+K]+	304.99603	162.6
[M+H-H2O]+	249.03013	153.6
[M+HCOO]-	311.03107	179.4
[M+CH3COO]-	325.04672	181.5
[M+Na-2H]-	287.00754	161.0
[M]+	266.03232	161.7
[M]-	266.03342	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe