CID 13655068

Schembl10688783

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CCNCCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H15NO2S/c1-2-11-8-9-14(12,13)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChIKey

VPDNTQLQEYIHIW-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 213.08235 Da
Monoisotopic Mass: 1.1
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	145.4
[M+Na]+	236.071568	152.5
[M-H]-	212.075074	149.0
[M+NH4]+	231.116173	164.3
[M+K]+	252.045508	149.3
[M+H-H2O]+	196.079610	139.3
[M+HCOO]-	258.080551	164.6
[M+CH3COO]-	272.096201	185.7
[M+Na-2H]-	234.057016	150.8
[M]+	213.08180142	148.0
[M]-	213.08289858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe