CID 4961836

851879-15-7

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-7(11-2)8-3-5-9(6-4-8)14(10,12)13/h3-7,11H,1-2H3,(H2,10,12,13)

InChIKey

DYXBDKAGCQTXGF-UHFFFAOYSA-N

Compound name

4-[1-(methylamino)ethyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 214.0776 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]+	215.08488	144.8
[M+Na]+	237.06682	151.9
[M-H]-	213.07032	148.2
[M+NH4]+	232.11142	163.1
[M+K]+	253.04076	148.9
[M+H-H2O]+	197.07486	138.6
[M+HCOO]-	259.07580	163.4
[M+CH3COO]-	273.09145	189.1
[M+Na-2H]-	235.05227	148.4
[M]+	214.07705	144.9
[M]-	214.07815	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe