CID 14196351

2-methanesulfonyl-n-methylaniline

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CNC1=CC=CC=C1S(=O)(=O)C

InChI

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

InChIKey

YLDKGNWSSXYUAH-UHFFFAOYSA-N

Compound name

N-methyl-2-methylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 185.05106 Da
Monoisotopic Mass: 1.7
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	138.2
[M+Na]+	208.04028	149.6
[M+NH4]+	203.08488	146.5
[M+K]+	224.01422	142.3
[M-H]-	184.04378	140.0
[M+Na-2H]-	206.02573	144.5
[M]+	185.05051	140.7
[M]-	185.05161	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe