CID 16682913

Acetoxytrioctylstannane

Structural Information

Molecular Formula
C26H54O2Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C
InChI
InChI=1S/3C8H17.C2H4O2.Sn/c3*1-3-5-7-8-6-4-2;1-2(3)4;/h3*1,3-8H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey
HJNBKKMVQZKRNU-UHFFFAOYSA-M
Compound name
trioctylstannyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

319
Patents

518.3146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.32188 240.2
[M+Na]+ 541.30382 238.5
[M-H]- 517.30732 236.0
[M+NH4]+ 536.34842 242.8
[M+K]+ 557.27776 233.4
[M+H-H2O]+ 501.31186 231.3
[M+HCOO]- 563.31280 253.3
[M+CH3COO]- 577.32845 237.4
[M+Na-2H]- 539.28927 233.5
[M]+ 518.31405 250.6
[M]- 518.31515 250.6
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