CID 16683938

Dibutyltin dipropionate

Structural Information

Molecular Formula
C14H28O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)CC)OC(=O)CC
InChI
InChI=1S/2C4H9.2C3H6O2.Sn/c2*1-3-4-2;2*1-2-3(4)5;/h2*1,3-4H2,2H3;2*2H2,1H3,(H,4,5);/q;;;;+2/p-2
InChIKey
UNPUXJFMLVJYCD-UHFFFAOYSA-L
Compound name
[dibutyl(propanoyloxy)stannyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

380.10095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10823 190.5
[M+Na]+ 403.09017 193.8
[M-H]- 379.09367 188.8
[M+NH4]+ 398.13477 205.9
[M+K]+ 419.06411 192.8
[M+H-H2O]+ 363.09821 183.8
[M+HCOO]- 425.09915 208.0
[M+CH3COO]- 439.11480 205.0
[M+Na-2H]- 401.07562 189.1
[M]+ 380.10040 197.8
[M]- 380.10150 197.8
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