CID 16683336

Dibutylbis(myristoyloxy)stannane

Structural Information

Molecular Formula
C36H72O4Sn
SMILES
CCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/2C14H28O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
CSCQRXVSACSECP-UHFFFAOYSA-L
Compound name
[dibutyl(tetradecanoyloxy)stannyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

688.44525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.45253 277.0
[M+Na]+ 711.43447 282.6
[M-H]- 687.43797 263.3
[M+NH4]+ 706.47907 281.0
[M+K]+ 727.40841 285.6
[M+H-H2O]+ 671.44251 275.3
[M+HCOO]- 733.44345 283.1
[M+CH3COO]- 747.45910 268.3
[M+Na-2H]- 709.41992 259.1
[M]+ 688.44470 276.4
[M]- 688.44580 276.4
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