CID 16683087

Bis(tributyltin) adipate

Structural Information

Molecular Formula
C30H62O4Sn2
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C6H10O4.6C4H9.2Sn/c7-5(8)3-1-2-4-6(9)10;6*1-3-4-2;;/h1-4H2,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InChIKey
PLWUYEKZZZRFPA-UHFFFAOYSA-L
Compound name
bis(tributylstannyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

726.2692 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.27648 278.1
[M+Na]+ 749.25842 284.8
[M-H]- 725.26192 269.0
[M+NH4]+ 744.30302 284.3
[M+K]+ 765.23236 287.3
[M+H-H2O]+ 709.26646 274.9
[M+HCOO]- 771.26740 286.7
[M+CH3COO]- 785.28305 258.7
[M+Na-2H]- 747.24387 260.8
[M]+ 726.26865 276.6
[M]- 726.26975 276.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe