CID 479435

N-octanesulfonylacetamide

Structural Information

Molecular Formula

C₁₀H₂₁NO₃S

SMILES

CCCCCCCCS(=O)(=O)CC(=O)N

InChI

InChI=1S/C10H21NO3S/c1-2-3-4-5-6-7-8-15(13,14)9-10(11)12/h2-9H2,1H3,(H2,11,12)

InChIKey

QTQLOUJFCVBZSP-UHFFFAOYSA-N

Compound name

2-octylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 29
Patents: 235.12422 Da
Monoisotopic Mass: 2.0
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]+	236.13150	154.7
[M+Na]+	258.11344	159.9
[M-H]-	234.11694	153.8
[M+NH4]+	253.15804	172.2
[M+K]+	274.08738	157.3
[M+H-H2O]+	218.12148	148.8
[M+HCOO]-	280.12242	170.6
[M+CH3COO]-	294.13807	191.7
[M+Na-2H]-	256.09889	155.2
[M]+	235.12367	158.6
[M]-	235.12477	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe