CID 415696

84040-81-3

Structural Information

Molecular Formula

C₂₀H₄₃S

SMILES

CCCCCCCCCCCCCCCCCC[S+](C)C

InChI

InChI=1S/C20H43S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3/q+1

InChIKey

GFIQVRMNGWFIHW-UHFFFAOYSA-N

Compound name

dimethyl(octadecyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 315.30853 Da
Monoisotopic Mass: 9.7
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]+	316.31581	186.3
[M+Na]+	338.29775	187.5
[M-H]-	314.30125	184.5
[M+NH4]+	333.34235	201.5
[M+K]+	354.27169	177.8
[M+H-H2O]+	298.30579	181.9
[M+HCOO]-	360.30673	198.9
[M+CH3COO]-	374.32238	207.7
[M+Na-2H]-	336.28320	183.7
[M]+	315.30798	192.8
[M]-	315.30908	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe