CID 104385

53040-42-9

Structural Information

Molecular Formula
C34H66O6S3Sn
SMILES
CC(C)CCCCCOC(=O)CCS[Sn](C)(SCCC(=O)OCCCCCC(C)C)SCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/3C11H22O2S.CH3.Sn/c3*1-10(2)6-4-3-5-8-13-11(12)7-9-14;;/h3*10,14H,3-9H2,1-2H3;1H3;/q;;;;+3/p-3
InChIKey
UNSZSDJPWFJQBK-UHFFFAOYSA-K
Compound name
6-methylheptyl 3-[methyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.3044 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.31168 291.9
[M+Na]+ 809.29362 299.2
[M+NH4]+ 804.33822 298.0
[M+K]+ 825.26756 292.6
[M-H]- 785.29712 281.8
[M+Na-2H]- 807.27907 291.1
[M]+ 786.30385 291.4
[M]- 786.30495 291.4
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

No patent data available for this compound.