CID 16684100

67701-37-5

Structural Information

Molecular Formula
C36H74O4Sn2
SMILES
CCCCCCCCC(CC(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
CQHWKSNAXPLVEG-UHFFFAOYSA-L
Compound name
bis(tributylstannyl) 2-octylbutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

810.3631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 811.37038 262.0
[M+Na]+ 833.35232 263.1
[M+NH4]+ 828.39692 265.0
[M+K]+ 849.32626 262.1
[M-H]- 809.35582 247.1
[M+Na-2H]- 831.33777 260.7
[M]+ 810.36255 258.4
[M]- 810.36365 258.4
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.