CID 19104070

2375271-23-9

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CS(=O)(=O)C(CN)C1=CC=CC=C1

InChI

InChI=1S/C9H13NO2S/c1-13(11,12)9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3

InChIKey

LCSTUHDZSVXWOA-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 199.0667 Da
Monoisotopic Mass: 0.2
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	152.5
[M+NH4]+	217.10052	150.1
[M+K]+	238.02986	145.9
[M-H]-	198.05942	143.6
[M+Na-2H]-	220.04137	147.8
[M]+	199.06615	144.5
[M]-	199.06725	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe