CID 83263

13248-55-0

Structural Information

Molecular Formula

C₉H₁₄N₂O₃S

SMILES

CC1=C(C=C(C=C1)N)S(=O)(=O)NCCO

InChI

InChI=1S/C9H14N2O3S/c1-7-2-3-8(10)6-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3

InChIKey

WWHPEPVZSCLPRC-UHFFFAOYSA-N

Compound name

5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 230.07251 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]+	231.07979	149.2
[M+Na]+	253.06173	158.0
[M+NH4]+	248.10633	155.5
[M+K]+	269.03567	152.3
[M-H]-	229.06523	149.8
[M+Na-2H]-	251.04718	153.2
[M]+	230.07196	150.8
[M]-	230.07306	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe