CID 16783504

25840-61-3

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

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

InChIKey

AMJWROHRKLMFBB-UHFFFAOYSA-N

Compound name

2-amino-N-phenylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 200.06195 Da
Monoisotopic Mass: 0.5
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]+	201.069226	140.2
[M+Na]+	223.051168	147.1
[M-H]-	199.054674	143.3
[M+NH4]+	218.095773	158.8
[M+K]+	239.025108	143.8
[M+H-H2O]+	183.059210	133.8
[M+HCOO]-	245.060151	160.2
[M+CH3COO]-	259.075801	184.0
[M+Na-2H]-	221.036616	146.0
[M]+	200.06140142	140.1
[M]-	200.06249858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe