CID 88528

2-(dodecylsulfinyl)ethanol

Structural Information

Molecular Formula

C₁₄H₃₀O₂S

SMILES

CCCCCCCCCCCCS(=O)CCO

InChI

InChI=1S/C14H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-17(16)14-12-15/h15H,2-14H2,1H3

InChIKey

MFWFLYVQFMEYJO-UHFFFAOYSA-N

Compound name

2-dodecylsulfinylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 262.19666 Da
Monoisotopic Mass: 4.2
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]+	263.20394	166.4
[M+Na]+	285.18588	173.8
[M+NH4]+	280.23048	172.8
[M+K]+	301.15982	165.1
[M-H]-	261.18938	164.8
[M+Na-2H]-	283.17133	166.5
[M]+	262.19611	167.1
[M]-	262.19721	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe