CID 4548413

18143-40-3

Structural Information

Molecular Formula

C₅H₁₄O₃SSi

SMILES

C[Si](C)(C)CCS(=O)(=O)O

InChI

InChI=1S/C5H14O3SSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3,(H,6,7,8)

InChIKey

QNRAYQONDVKDET-UHFFFAOYSA-N

Compound name

2-trimethylsilylethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 123
Patents: 182.04329 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]+	183.05057	139.4
[M+Na]+	205.03251	147.7
[M+NH4]+	200.07711	145.9
[M+K]+	221.00645	142.6
[M-H]-	181.03601	136.3
[M+Na-2H]-	203.01796	140.8
[M]+	182.04274	140.0
[M]-	182.04384	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe