CID 16774571

1093630-40-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-8(11-2)9-4-6-10(7-5-9)14(3,12)13/h4-8,11H,1-3H3

InChIKey

UPFXBEQEVWAQCH-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-methylsulfonylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.08235 Da
Monoisotopic Mass: 0.9
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]+	214.089626	144.8
[M+Na]+	236.071568	152.4
[M-H]-	212.075074	148.9
[M+NH4]+	231.116173	163.9
[M+K]+	252.045508	149.8
[M+H-H2O]+	196.079610	139.0
[M+HCOO]-	258.080551	162.9
[M+CH3COO]-	272.096201	187.7
[M+Na-2H]-	234.057016	148.5
[M]+	213.08180142	147.2
[M]-	213.08289858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe