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: 9
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	166.5
[M+Na]+	282.18622	169.4
[M-H]-	258.18972	164.7
[M+NH4]+	277.23082	183.3
[M+K]+	298.16016	165.8
[M+H-H2O]+	242.19426	159.7
[M+HCOO]-	304.19520	181.9
[M+CH3COO]-	318.21085	201.1
[M+Na-2H]-	280.17167	164.1
[M]+	259.19645	171.0
[M]-	259.19755	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe