CID 16684076

Tributyltin oleate

Structural Information

Molecular Formula
C30H60O2Sn
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C18H34O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/b10-9-;;;;
InChIKey
VAFVPAKNJFBOFX-HKIWRJGFSA-M
Compound name
tributylstannyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

152
Patents

572.3615 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.368776 254.0
[M+Na]+ 595.350718 261.2
[M-H]- 571.354224 239.7
[M+NH4]+ 590.395323 255.0
[M+K]+ 611.324658 261.3
[M+H-H2O]+ 555.358760 246.3
[M+HCOO]- 617.359701 264.6
[M+CH3COO]- 631.375351 247.5
[M+Na-2H]- 593.336166 238.7
[M]+ 572.36095142 253.8
[M]- 572.36204858 253.8
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