CID 9106555

1-(2-cyanophenyl)-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

CNS(=O)(=O)CC1=CC=CC=C1C#N

InChI

InChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3

InChIKey

WNDNPRAXAXKVGM-UHFFFAOYSA-N

Compound name

1-(2-cyanophenyl)-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.0463 Da
Monoisotopic Mass: 0.5
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]+	211.05358	143.1
[M+Na]+	233.03552	153.4
[M+NH4]+	228.08012	147.3
[M+K]+	249.00946	143.6
[M-H]-	209.03902	137.3
[M+Na-2H]-	231.02097	146.5
[M]+	210.04575	142.4
[M]-	210.04685	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe