CID 9576715

26761-46-6

Structural Information

Molecular Formula
C30H60O4S2Sn
SMILES
CCCC[Sn](CCCC)(SCCC(=O)OCC(C)(C)CC(C)C)SCCC(=O)OCC(C)(C)CC(C)C
InChI
InChI=1S/2C11H22O2S.2C4H9.Sn/c2*1-9(2)7-11(3,4)8-13-10(12)5-6-14;2*1-3-4-2;/h2*9,14H,5-8H2,1-4H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
PSSJZBIVTOSSIU-UHFFFAOYSA-L
Compound name
2,2,4-trimethylpentyl 3-[dibutyl-[3-oxo-3-(2,2,4-trimethylpentoxy)propyl]sulfanylstannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

668.29553 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.30281 267.8
[M+Na]+ 691.28475 270.4
[M-H]- 667.28825 257.5
[M+NH4]+ 686.32935 275.6
[M+K]+ 707.25869 277.3
[M+H-H2O]+ 651.29279 263.6
[M+HCOO]- 713.29373 270.2
[M+CH3COO]- 727.30938 259.6
[M+Na-2H]- 689.27020 251.6
[M]+ 668.29498 273.2
[M]- 668.29608 273.2
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