CID 74590

Sulfonium, triethyl-, iodide (1:1)

Structural Information

Molecular Formula

C₆H₁₅S

SMILES

CC[S+](CC)CC

InChI

InChI=1S/C6H15S/c1-4-7(5-2)6-3/h4-6H2,1-3H3/q+1

InChIKey

WCZKTXKOKMXREO-UHFFFAOYSA-N

Compound name

triethylsulfanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3672
Patents: 119.08945 Da
Monoisotopic Mass: 2.0
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]+	120.09673	122.7
[M+Na]+	142.07867	129.8
[M-H]-	118.08217	123.7
[M+NH4]+	137.12327	145.8
[M+K]+	158.05261	124.0
[M+H-H2O]+	102.08671	121.2
[M+HCOO]-	164.08765	139.8
[M+CH3COO]-	178.10330	165.8
[M+Na-2H]-	140.06412	127.2
[M]+	119.08890	124.0
[M]-	119.09000	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe