CID 12135713

Octanethioic acid, s-[3-(triethoxysilyl)propyl] ester

Structural Information

Molecular Formula
C17H36O4SSi
SMILES
CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC
InChI
InChI=1S/C17H36O4SSi/c1-5-9-10-11-12-14-17(18)22-15-13-16-23(19-6-2,20-7-3)21-8-4/h5-16H2,1-4H3
InChIKey
JPPLPDOXWBVPCW-UHFFFAOYSA-N
Compound name
S-(3-triethoxysilylpropyl) octanethioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6684
Patents

364.21036 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21764 192.6
[M+Na]+ 387.19958 194.8
[M-H]- 363.20308 190.8
[M+NH4]+ 382.24418 206.4
[M+K]+ 403.17352 192.5
[M+H-H2O]+ 347.20762 185.5
[M+HCOO]- 409.20856 205.7
[M+CH3COO]- 423.22421 214.3
[M+Na-2H]- 385.18503 190.1
[M]+ 364.20981 204.3
[M]- 364.21091 204.3
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.