CID 199294

N,n-dibutylmethanesulfonamide

Structural Information

Molecular Formula

C₉H₂₁NO₂S

SMILES

CCCCN(CCCC)S(=O)(=O)C

InChI

InChI=1S/C9H21NO2S/c1-4-6-8-10(9-7-5-2)13(3,11)12/h4-9H2,1-3H3

InChIKey

XBNLEFXQEKTTGZ-UHFFFAOYSA-N

Compound name

N,N-dibutylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 207.1293 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]+	208.13658	147.6
[M+Na]+	230.11852	153.6
[M-H]-	206.12202	149.0
[M+NH4]+	225.16312	167.5
[M+K]+	246.09246	152.7
[M+H-H2O]+	190.12656	141.9
[M+HCOO]-	252.12750	165.6
[M+CH3COO]-	266.14315	190.9
[M+Na-2H]-	228.10397	149.9
[M]+	207.12875	153.4
[M]-	207.12985	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe