CID 71048734

Schembl14016158

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-10(2,11)8-4-6-9(7-5-8)14(3,12)13/h4-7H,11H2,1-3H3

InChIKey

VZMSMBZHAHRACO-UHFFFAOYSA-N

Compound name

2-(4-methylsulfonylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.08235 Da
Monoisotopic Mass: 0.6
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]+	214.08963	145.6
[M+Na]+	236.07157	153.8
[M-H]-	212.07507	149.2
[M+NH4]+	231.11617	164.5
[M+K]+	252.04551	150.7
[M+H-H2O]+	196.07961	140.2
[M+HCOO]-	258.08055	162.5
[M+CH3COO]-	272.09620	186.6
[M+Na-2H]-	234.05702	150.2
[M]+	213.08180	147.0
[M]-	213.08290	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe