CID 16781260

3-(aminomethyl)benzenesulfonamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)CN

InChI

InChI=1S/C7H10N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)

InChIKey

HNENXADRSCEPIJ-UHFFFAOYSA-N

Compound name

3-(aminomethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 186.0463 Da
Monoisotopic Mass: -0.7
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]+	187.05358	137.2
[M+Na]+	209.03552	146.8
[M+NH4]+	204.08012	144.7
[M+K]+	225.00946	140.7
[M-H]-	185.03902	138.7
[M+Na-2H]-	207.02097	142.5
[M]+	186.04575	139.2
[M]-	186.04685	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe