CID 3016442

Silanetriol, (3-mercaptopropyl)-, triacetate

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

104
Patents

280.0437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05098 159.9
[M+Na]+ 303.03292 165.3
[M-H]- 279.03642 159.8
[M+NH4]+ 298.07752 176.6
[M+K]+ 319.00686 165.9
[M+H-H2O]+ 263.04096 154.3
[M+HCOO]- 325.04190 174.3
[M+CH3COO]- 339.05755 193.3
[M+Na-2H]- 301.01837 159.6
[M]+ 280.04315 168.7
[M]- 280.04425 168.7
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