CID 84658

14814-09-6

Structural Information

Molecular Formula
C9H22O3SSi
SMILES
CCO[Si](CCCS)(OCC)OCC
InChI
InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
InChIKey
DCQBZYNUSLHVJC-UHFFFAOYSA-N
Compound name
3-triethoxysilylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

52799
Patents

238.1059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11318 155.1
[M+Na]+ 261.09512 160.8
[M-H]- 237.09862 154.9
[M+NH4]+ 256.13972 174.2
[M+K]+ 277.06906 160.2
[M+H-H2O]+ 221.10316 149.5
[M+HCOO]- 283.10410 171.3
[M+CH3COO]- 297.11975 189.5
[M+Na-2H]- 259.08057 157.3
[M]+ 238.10535 163.8
[M]- 238.10645 163.8
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