CID 46940464

11-mercaptoundecyltrimethoxysilane

Structural Information

Molecular Formula

C₁₄H₃₂O₃SSi

SMILES

CO[Si](CCCCCCCCCCCS)(OC)OC

InChI

InChI=1S/C14H32O3SSi/c1-15-19(16-2,17-3)14-12-10-8-6-4-5-7-9-11-13-18/h18H,4-14H2,1-3H3

InChIKey

VHJRQDUWYYJDBE-UHFFFAOYSA-N

Compound name

11-trimethoxysilylundecane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1116
Patents: 308.18414 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]+	309.19142	177.2
[M+Na]+	331.17336	180.8
[M-H]-	307.17686	176.0
[M+NH4]+	326.21796	193.5
[M+K]+	347.14730	178.9
[M+H-H2O]+	291.18140	170.6
[M+HCOO]-	353.18234	191.8
[M+CH3COO]-	367.19799	204.4
[M+Na-2H]-	329.15881	177.0
[M]+	308.18359	187.8
[M]-	308.18469	187.8

Literature stripe

literature stripe

Patent stripe

patents stripe