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]+ 787.311676 304.1
[M+Na]+ 809.293618 304.7
[M-H]- 785.297124 289.0
[M+NH4]+ 804.338223 312.2
[M+K]+ 825.267558 311.9
[M+H-H2O]+ 769.301660 303.5
[M+HCOO]- 831.302601 297.8
[M+CH3COO]- 845.318251 274.8
[M+Na-2H]- 807.279066 284.4
[M]+ 786.30385142 307.4
[M]- 786.30494858 307.4
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.