CID 479445

2-decylsulfinylacetamide

Structural Information

Molecular Formula

C₁₂H₂₅NO₂S

SMILES

CCCCCCCCCCS(=O)CC(=O)N

InChI

InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-10-16(15)11-12(13)14/h2-11H2,1H3,(H2,13,14)

InChIKey

IMGATKZZPCWNLN-UHFFFAOYSA-N

Compound name

2-decylsulfinylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 247.1606 Da
Monoisotopic Mass: 2.9
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]+	248.16788	161.1
[M+Na]+	270.14982	164.7
[M-H]-	246.15332	159.7
[M+NH4]+	265.19442	178.2
[M+K]+	286.12376	161.9
[M+H-H2O]+	230.15786	154.5
[M+HCOO]-	292.15880	176.5
[M+CH3COO]-	306.17445	197.1
[M+Na-2H]-	268.13527	158.6
[M]+	247.16005	165.0
[M]-	247.16115	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe