CID 16684292

Tributyltin cyclohexanecarboxylate

Structural Information

Molecular Formula
C19H38O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1CCCCC1
InChI
InChI=1S/C7H12O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h6H,1-5H2,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
WLTLHQPSODSFJU-UHFFFAOYSA-M
Compound name
tributylstannyl cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

418.1894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19668 205.5
[M+Na]+ 441.17862 204.8
[M-H]- 417.18212 205.3
[M+NH4]+ 436.22322 218.8
[M+K]+ 457.15256 201.5
[M+H-H2O]+ 401.18666 197.3
[M+HCOO]- 463.18760 218.9
[M+CH3COO]- 477.20325 213.3
[M+Na-2H]- 439.16407 202.1
[M]+ 418.18885 206.2
[M]- 418.18995 206.2
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