CID 22809

(methylthiomethyl)trimethylammonium chloride

Structural Information

Molecular Formula

SMILES

C[N+](C)(C)CSC

InChI

InChI=1S/C5H14NS/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1

InChIKey

CQJCJDGKXWPTCN-UHFFFAOYSA-N

Compound name

trimethyl(methylsulfanylmethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 120.084694 Da
Monoisotopic Mass: 1.0
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]+	121.09197	121.9
[M+Na]+	143.07391	134.3
[M+NH4]+	138.11852	132.8
[M+K]+	159.04785	127.3
[M-H]-	119.07742	124.9
[M+Na-2H]-	141.05936	127.8
[M]+	120.08415	125.4
[M]-	120.08524	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe