CID 45080652

81760-42-1

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H12N2O2S/c9-5-4-7-2-1-3-8(6-7)13(10,11)12/h1-3,6H,4-5,9H2,(H2,10,11,12)

InChIKey

LVLOPTDNFFBZEJ-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 200.06195 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]+	201.06923	141.5
[M+Na]+	223.05117	150.9
[M+NH4]+	218.09577	148.8
[M+K]+	239.02511	144.6
[M-H]-	199.05467	143.0
[M+Na-2H]-	221.03662	146.5
[M]+	200.06140	143.5
[M]-	200.06250	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe