CID 16684129

68299-15-0

Structural Information

Molecular Formula
C36H72O4Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(C)(C)CCC(C)(C)C)OC(=O)C(C)(C)CCC(C)(C)C
InChI
InChI=1S/2C10H20O2.2C8H17.Sn/c2*1-9(2,3)6-7-10(4,5)8(11)12;2*1-3-5-7-8-6-4-2;/h2*6-7H2,1-5H3,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
NNVDGGDSRRQJMV-UHFFFAOYSA-L
Compound name
[dioctyl(2,2,5,5-tetramethylhexanoyloxy)stannyl] 2,2,5,5-tetramethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1286
Patents

688.44525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.45253 270.4
[M+Na]+ 711.43447 273.6
[M+NH4]+ 706.47907 242.1
[M+K]+ 727.40841 278.0
[M-H]- 687.43797 265.6
[M+Na-2H]- 709.41992 260.9
[M]+ 688.44470 271.1
[M]- 688.44580 271.1
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

patents stripe