CID 3016442

Triacetoxy(3-mercaptopropyl)silane

Structural Information

Molecular Formula
C9H16O6SSi
SMILES
CC(=O)O[Si](CCCS)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C9H16O6SSi/c1-7(10)13-17(6-4-5-16,14-8(2)11)15-9(3)12/h16H,4-6H2,1-3H3
InChIKey
QOCXHIDKNIMUKQ-UHFFFAOYSA-N
Compound name
[diacetyloxy(3-sulfanylpropyl)silyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

280.0437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05098 161.7
[M+Na]+ 303.03292 167.6
[M+NH4]+ 298.07752 165.7
[M+K]+ 319.00686 164.3
[M-H]- 279.03642 157.0
[M+Na-2H]- 301.01837 160.6
[M]+ 280.04315 161.2
[M]- 280.04425 161.2
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

patents stripe