CID 116214

64036-94-8

Structural Information

Molecular Formula

C₁₀H₂₁O₂S

SMILES

CCC[S+](CCC)CC(=O)OCC

InChI

InChI=1S/C10H21O2S/c1-4-7-13(8-5-2)9-10(11)12-6-3/h4-9H2,1-3H3/q+1

InChIKey

VJVQXEKKFQTDBE-UHFFFAOYSA-N

Compound name

(2-ethoxy-2-oxoethyl)-dipropylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.12622 Da
Monoisotopic Mass: 3.0
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]+	206.13350	145.9
[M+Na]+	228.11544	156.5
[M+NH4]+	223.16004	154.5
[M+K]+	244.08938	149.9
[M-H]-	204.11894	146.7
[M+Na-2H]-	226.10089	148.6
[M]+	205.12567	148.3
[M]-	205.12677	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.