CID 479436

2-nonylsulfonylacetamide

Structural Information

Molecular Formula

C₁₁H₂₃NO₃S

SMILES

CCCCCCCCCS(=O)(=O)CC(=O)N

InChI

InChI=1S/C11H23NO3S/c1-2-3-4-5-6-7-8-9-16(14,15)10-11(12)13/h2-10H2,1H3,(H2,12,13)

InChIKey

QKEBUPSWLLDIEW-UHFFFAOYSA-N

Compound name

2-nonylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 249.13986 Da
Monoisotopic Mass: 2.5
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]+	250.14714	159.0
[M+Na]+	272.12908	163.8
[M-H]-	248.13258	158.0
[M+NH4]+	267.17368	176.1
[M+K]+	288.10302	161.0
[M+H-H2O]+	232.13712	153.0
[M+HCOO]-	294.13806	174.7
[M+CH3COO]-	308.15371	194.7
[M+Na-2H]-	270.11453	159.1
[M]+	249.13931	163.4
[M]-	249.14041	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe