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: 96
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	161.3
[M+Na]+	268.21952	172.2
[M+NH4]+	263.26412	170.6
[M+K]+	284.19346	162.7
[M-H]-	244.22302	163.5
[M+Na-2H]-	266.20497	164.1
[M]+	245.22975	164.3
[M]-	245.23085	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe