CID 47495

1-butanesulfonamide, n-cyclohexyl-

Structural Information

Molecular Formula

C₁₀H₂₁NO₂S

SMILES

CCCCS(=O)(=O)NC1CCCCC1

InChI

InChI=1S/C10H21NO2S/c1-2-3-9-14(12,13)11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3

InChIKey

MBMOGJGVYAHBLN-UHFFFAOYSA-N

Compound name

N-cyclohexylbutane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 219.1293 Da
Monoisotopic Mass: 2.4
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]+	220.13658	149.4
[M+Na]+	242.11852	153.3
[M-H]-	218.12202	151.7
[M+NH4]+	237.16312	167.7
[M+K]+	258.09246	150.8
[M+H-H2O]+	202.12656	143.4
[M+HCOO]-	264.12750	164.2
[M+CH3COO]-	278.14315	186.9
[M+Na-2H]-	240.10397	152.1
[M]+	219.12875	147.8
[M]-	219.12985	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe