CID 84296

Sulfonium, dodecylethylmethyl-, chloride

Structural Information

Molecular Formula

C₁₅H₃₃S

SMILES

CCCCCCCCCCCC[S+](C)CC

InChI

InChI=1S/C15H33S/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h4-15H2,1-3H3/q+1

InChIKey

AOFLSGCSQROFFU-UHFFFAOYSA-N

Compound name

dodecyl-ethyl-methylsulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 245.2303 Da
Monoisotopic Mass: 6.8
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]+	246.23758	164.0
[M+Na]+	268.21952	167.3
[M-H]-	244.22302	163.3
[M+NH4]+	263.26412	182.1
[M+K]+	284.19346	159.0
[M+H-H2O]+	228.22756	160.6
[M+HCOO]-	290.22850	178.2
[M+CH3COO]-	304.24415	192.8
[M+Na-2H]-	266.20497	163.9
[M]+	245.22975	168.6
[M]-	245.23085	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe