CID 16682773

Dioctyltin mercaptoacetate

Structural Information

Molecular Formula
C18H36O2SSn
SMILES
CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC
InChI
InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2
InChIKey
KEUUHXDTZRYITO-UHFFFAOYSA-L
Compound name
2,2-dioctyl-1,3,2-oxathiastannolan-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

436.1458 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15308 201.2
[M+Na]+ 459.13502 208.0
[M+NH4]+ 454.17962 208.9
[M+K]+ 475.10896 197.2
[M-H]- 435.13852 202.7
[M+Na-2H]- 457.12047 201.6
[M]+ 436.14525 203.0
[M]- 436.14635 203.0
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