CID 23563477

[(2-methanesulfonylphenyl)methyl](methyl)amine

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CNCC1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C9H13NO2S/c1-10-7-8-5-3-4-6-9(8)13(2,11)12/h3-6,10H,7H2,1-2H3

InChIKey

XSNISHHWQGXBRJ-UHFFFAOYSA-N

Compound name

N-methyl-1-(2-methylsulfonylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 199.0667 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]+	200.07398	142.6
[M+Na]+	222.05592	153.8
[M+NH4]+	217.10052	150.6
[M+K]+	238.02986	146.2
[M-H]-	198.05942	144.3
[M+Na-2H]-	220.04137	148.6
[M]+	199.06615	145.0
[M]-	199.06725	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe