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]+ 717.48384 281.8
[M+Na]+ 739.46578 288.1
[M-H]- 715.46928 270.5
[M+NH4]+ 734.51038 289.0
[M+K]+ 755.43972 293.1
[M+H-H2O]+ 699.47382 281.2
[M+HCOO]- 761.47476 282.5
[M+CH3COO]- 775.49041 275.0
[M+Na-2H]- 737.45123 264.5
[M]+ 716.47601 281.5
[M]- 716.47711 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.