CID 3040129

2-(tripropylsilyl)ethanethiol

Structural Information

Molecular Formula

C₁₁H₂₆SSi

SMILES

CCC[Si](CCC)(CCC)CCS

InChI

InChI=1S/C11H26SSi/c1-4-8-13(9-5-2,10-6-3)11-7-12/h12H,4-11H2,1-3H3

InChIKey

IYITVZFXFFHFRB-UHFFFAOYSA-N

Compound name

2-tripropylsilylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.15245 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]+	219.15973	153.4
[M+Na]+	241.14167	158.6
[M-H]-	217.14517	153.0
[M+NH4]+	236.18627	173.5
[M+K]+	257.11561	156.2
[M+H-H2O]+	201.14971	148.1
[M+HCOO]-	263.15065	168.2
[M+CH3COO]-	277.16630	189.9
[M+Na-2H]-	239.12712	154.2
[M]+	218.15190	158.5
[M]-	218.15300	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.