CID 118914

Butyltintris(isooctyl 3-mercaptopropionate)

Structural Information

Molecular Formula
C37H72O6S3Sn
SMILES
CCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-10(2)6-4-3-5-8-13-11(12)7-9-14;1-3-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
ZXKSNDROELGGRH-UHFFFAOYSA-K
Compound name
6-methylheptyl 3-[butyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

828.3513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.35858 301.2
[M+Na]+ 851.34052 308.2
[M+NH4]+ 846.38512 307.2
[M+K]+ 867.31446 302.2
[M-H]- 827.34402 290.2
[M+Na-2H]- 849.32597 299.5
[M]+ 828.35075 300.5
[M]- 828.35185 300.5
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