CID 479446

2-nonylsulfinylacetamide

Structural Information

Molecular Formula

C₁₁H₂₃NO₂S

SMILES

CCCCCCCCCS(=O)CC(=O)N

InChI

InChI=1S/C11H23NO2S/c1-2-3-4-5-6-7-8-9-15(14)10-11(12)13/h2-10H2,1H3,(H2,12,13)

InChIKey

OYBQPDYHWQFUSE-UHFFFAOYSA-N

Compound name

2-nonylsulfinylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.14494 Da
Monoisotopic Mass: 2.3
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]+	234.15222	156.8
[M+Na]+	256.13416	160.8
[M-H]-	232.13766	155.6
[M+NH4]+	251.17876	174.4
[M+K]+	272.10810	158.2
[M+H-H2O]+	216.14220	150.4
[M+HCOO]-	278.14314	172.4
[M+CH3COO]-	292.15879	194.1
[M+Na-2H]-	254.11961	154.7
[M]+	233.14439	160.2
[M]-	233.14549	160.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.