CID 733944

N-methyl-n-phenylmethanesulfonamide

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C8H11NO2S/c1-9(12(2,10)11)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

GVUINMQKMBASGD-UHFFFAOYSA-N

Compound name

N-methyl-N-phenylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 185.05106 Da
Monoisotopic Mass: 1.0
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]+	186.05834	138.0
[M+Na]+	208.04028	149.2
[M+NH4]+	203.08488	146.4
[M+K]+	224.01422	142.3
[M-H]-	184.04378	140.0
[M+Na-2H]-	206.02573	144.7
[M]+	185.05051	140.6
[M]-	185.05161	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe