CID 16683112

Dimethyl tin dilaurate

Structural Information

Molecular Formula
C26H52O4Sn
SMILES
CCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/2C12H24O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);2*1H3;/q;;;;+2/p-2
InChIKey
LYYNQLKRDKNQMN-UHFFFAOYSA-L
Compound name
[dodecanoyloxy(dimethyl)stannyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

548.28876 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.29604 242.4
[M+Na]+ 571.27798 249.8
[M-H]- 547.28148 232.5
[M+NH4]+ 566.32258 246.7
[M+K]+ 587.25192 248.7
[M+H-H2O]+ 531.28602 241.9
[M+HCOO]- 593.28696 252.4
[M+CH3COO]- 607.30261 240.1
[M+Na-2H]- 569.26343 228.9
[M]+ 548.28821 242.5
[M]- 548.28931 242.5
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