CID 3545497

2-(phenylsulfonyl)ethanamine

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

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

InChI

InChI=1S/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2

InChIKey

HEKKXNNVIAECAN-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 148
Patents: 185.05106 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]+	186.05834	138.0
[M+Na]+	208.04028	148.8
[M+NH4]+	203.08488	146.1
[M+K]+	224.01422	141.6
[M-H]-	184.04378	139.5
[M+Na-2H]-	206.02573	144.1
[M]+	185.05051	140.3
[M]-	185.05161	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe