CID 16683295

Tributyltin laurate

Structural Information

Molecular Formula
C24H50O2Sn
SMILES
CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
HFFZSMFXOBHQLV-UHFFFAOYSA-M
Compound name
tributylstannyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1653
Patents

490.2833 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.29058 231.4
[M+Na]+ 513.27252 230.6
[M-H]- 489.27602 227.7
[M+NH4]+ 508.31712 235.7
[M+K]+ 529.24646 226.0
[M+H-H2O]+ 473.28056 223.0
[M+HCOO]- 535.28150 246.9
[M+CH3COO]- 549.29715 231.6
[M+Na-2H]- 511.25797 225.8
[M]+ 490.28275 241.1
[M]- 490.28385 241.1
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