CID 16682812

Tributyltin 2-ethylcaproate

Structural Information

Molecular Formula
C20H42O2Sn
SMILES
CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
NJBLMKDJCMZEJZ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

280
Patents

434.22067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22795 213.7
[M+Na]+ 457.20989 214.4
[M-H]- 433.21339 210.9
[M+NH4]+ 452.25449 227.1
[M+K]+ 473.18383 211.3
[M+H-H2O]+ 417.21793 206.2
[M+HCOO]- 479.21887 228.6
[M+CH3COO]- 493.23452 220.5
[M+Na-2H]- 455.19534 208.9
[M]+ 434.22012 221.2
[M]- 434.22122 221.2
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