CID 16684082

Dimethylbis[(1-oxoneodecyl)oxy]stannane

Structural Information

Molecular Formula
C22H44O4Sn
SMILES
CC(C)(C)CCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/2C10H20O2.2CH3.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;;;/h2*4-8H2,1-3H3,(H,11,12);2*1H3;/q;;;;+2/p-2
InChIKey
FGPCETMNRYMFJR-UHFFFAOYSA-L
Compound name
[7,7-dimethyloctanoyloxy(dimethyl)stannyl] 7,7-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2906
Patents

492.22617 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.23345 223.0
[M+Na]+ 515.21539 228.8
[M-H]- 491.21889 218.1
[M+NH4]+ 510.25999 228.5
[M+K]+ 531.18933 222.3
[M+H-H2O]+ 475.22343 216.6
[M+HCOO]- 537.22437 234.8
[M+CH3COO]- 551.24002 228.2
[M+Na-2H]- 513.20084 220.3
[M]+ 492.22562 224.6
[M]- 492.22672 224.6
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