CID 44149965

Bis(isoundecanoyloxy)dioctylstannane

Structural Information

Molecular Formula
C38H76O4Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CCCCCCCC(C)C)OC(=O)CCCCCCCC(C)C
InChI
InChI=1S/2C11H22O2.2C8H17.Sn/c2*1-10(2)8-6-4-3-5-7-9-11(12)13;2*1-3-5-7-8-6-4-2;/h2*10H,3-9H2,1-2H3,(H,12,13);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
YVQPSMTXCQNVCN-UHFFFAOYSA-L
Compound name
[9-methyldecanoyloxy(dioctyl)stannyl] 9-methyldecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

716.47656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.483836 281.8
[M+Na]+ 739.465778 288.1
[M-H]- 715.469284 270.5
[M+NH4]+ 734.510383 289.0
[M+K]+ 755.439718 293.1
[M+H-H2O]+ 699.473820 281.2
[M+HCOO]- 761.474761 282.5
[M+CH3COO]- 775.490411 275.0
[M+Na-2H]- 737.451226 264.5
[M]+ 716.47601142 281.5
[M]- 716.47710858 281.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.