CID 479440

2-decylsulfanylacetamide

Structural Information

Molecular Formula

C₁₂H₂₅NOS

SMILES

CCCCCCCCCCSCC(=O)N

InChI

InChI=1S/C12H25NOS/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h2-11H2,1H3,(H2,13,14)

InChIKey

UJBLHXFXYXECBB-UHFFFAOYSA-N

Compound name

2-decylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 231.16568 Da
Monoisotopic Mass: 4.3
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]+	232.17296	157.9
[M+Na]+	254.15490	161.6
[M-H]-	230.15840	156.5
[M+NH4]+	249.19950	175.8
[M+K]+	270.12884	158.5
[M+H-H2O]+	214.16294	151.4
[M+HCOO]-	276.16388	173.9
[M+CH3COO]-	290.17953	195.1
[M+Na-2H]-	252.14035	156.4
[M]+	231.16513	161.6
[M]-	231.16623	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe