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 261.5
[M+Na]+ 711.43447 266.3
[M-H]- 687.43797 258.7
[M+NH4]+ 706.47907 271.5
[M+K]+ 727.40841 274.7
[M+H-H2O]+ 671.44251 253.3
[M+HCOO]- 733.44345 271.6
[M+CH3COO]- 747.45910 268.5
[M+Na-2H]- 709.41992 246.5
[M]+ 688.44470 267.6
[M]- 688.44580 267.6
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