CID 70504219

N-methyl-1-phenylethane-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CC(C1=CC=CC=C1)S(=O)(=O)NC

InChI

InChI=1S/C9H13NO2S/c1-8(13(11,12)10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

YTDGYEVCKSVELT-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 199.0667 Da
Monoisotopic Mass: 1.2
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]+	200.07398	142.4
[M+Na]+	222.05592	152.9
[M+NH4]+	217.10052	150.3
[M+K]+	238.02986	146.0
[M-H]-	198.05942	143.8
[M+Na-2H]-	220.04137	148.3
[M]+	199.06615	144.6
[M]-	199.06725	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe