CID 16684037

Hexanoic acid, 1,1'-(dibutylstannylene) ester

Structural Information

Molecular Formula
C20H40O4Sn
SMILES
CCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCC
InChI
InChI=1S/2C6H12O2.2C4H9.Sn/c2*1-2-3-4-5-6(7)8;2*1-3-4-2;/h2*2-5H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
RTSDIJDRLOTGRD-UHFFFAOYSA-L
Compound name
[dibutyl(hexanoyloxy)stannyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

464.19485 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20213 217.9
[M+Na]+ 487.18407 218.7
[M-H]- 463.18757 215.0
[M+NH4]+ 482.22867 225.1
[M+K]+ 503.15801 216.1
[M+H-H2O]+ 447.19211 210.0
[M+HCOO]- 509.19305 233.0
[M+CH3COO]- 523.20870 222.7
[M+Na-2H]- 485.16952 213.4
[M]+ 464.19430 227.5
[M]- 464.19540 227.5
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