CID 12135713

S-[3-(triethoxysilyl)propyl] octanethioate

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
3
Annotation Hits

0
References

6811
Patents

364.21036 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.217636 192.6
[M+Na]+ 387.199578 194.8
[M-H]- 363.203084 190.8
[M+NH4]+ 382.244183 206.4
[M+K]+ 403.173518 192.5
[M+H-H2O]+ 347.207620 185.5
[M+HCOO]- 409.208561 205.7
[M+CH3COO]- 423.224211 214.3
[M+Na-2H]- 385.185026 190.1
[M]+ 364.20981142 204.3
[M]- 364.21090858 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

literature stripe

Patent stripe

patents stripe