CID 82463

2-(dodecylthio)acetamide

Structural Information

Molecular Formula

C₁₄H₂₉NOS

SMILES

CCCCCCCCCCCCSCC(=O)N

InChI

InChI=1S/C14H29NOS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H2,15,16)

InChIKey

FZFDAJRZDGMCLE-UHFFFAOYSA-N

Compound name

2-dodecylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 259.197 Da
Monoisotopic Mass: 5.4
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]+	260.20428	166.3
[M+Na]+	282.18622	173.1
[M+NH4]+	277.23082	173.0
[M+K]+	298.16016	164.3
[M-H]-	258.18972	165.8
[M+Na-2H]-	280.17167	166.8
[M]+	259.19645	167.2
[M]-	259.19755	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe