CID 3058934

75819-66-8

Structural Information

Molecular Formula

C₇H₁₅O₂S

SMILES

CCOC(=O)CC[S+](C)C

InChI

InChI=1S/C7H15O2S/c1-4-9-7(8)5-6-10(2)3/h4-6H2,1-3H3/q+1

InChIKey

LOHSLRAEICYXDK-UHFFFAOYSA-N

Compound name

(3-ethoxy-3-oxopropyl)-dimethylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.07927 Da
Monoisotopic Mass: 1.1
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]+	164.08655	132.9
[M+Na]+	186.06849	144.2
[M+NH4]+	181.11309	142.0
[M+K]+	202.04243	138.2
[M-H]-	162.07199	133.9
[M+Na-2H]-	184.05394	136.3
[M]+	163.07872	135.4
[M]-	163.07982	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.