CID 21435825

2-amino-n-benzylethane-1-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2

InChIKey

RONYKOKYNXXJDO-UHFFFAOYSA-N

Compound name

2-amino-N-benzylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.0776 Da
Monoisotopic Mass: -0.1
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]+	215.084876	144.5
[M+Na]+	237.066818	151.0
[M-H]-	213.070324	147.5
[M+NH4]+	232.111423	162.6
[M+K]+	253.040758	147.5
[M+H-H2O]+	197.074860	138.0
[M+HCOO]-	259.075801	164.3
[M+CH3COO]-	273.091451	187.1
[M+Na-2H]-	235.052266	149.9
[M]+	214.07705142	144.8
[M]-	214.07814858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe