CID 2759524

(3-mercaptopropyl)methyldimethoxysilane

Structural Information

Molecular Formula

C₆H₁₆O₂SSi

SMILES

CO[Si](C)(CCCS)OC

InChI

InChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3

InChIKey

IKYAJDOSWUATPI-UHFFFAOYSA-N

Compound name

3-[dimethoxy(methyl)silyl]propane-1-thiol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 38370
Patents: 180.06403 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.07131	138.3
[M+Na]+	203.05325	145.4
[M-H]-	179.05675	138.7
[M+NH4]+	198.09785	159.8
[M+K]+	219.02719	145.2
[M+H-H2O]+	163.06129	133.6
[M+HCOO]-	225.06223	155.2
[M+CH3COO]-	239.07788	178.6
[M+Na-2H]-	201.03870	141.8
[M]+	180.06348	144.5
[M]-	180.06458	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe