CID 13628647

100983-91-3

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄S

SMILES

C1=CC(=C(C=C1N)S(=O)(=O)CCO)NCCO

InChI

InChI=1S/C10H16N2O4S/c11-8-1-2-9(12-3-4-13)10(7-8)17(15,16)6-5-14/h1-2,7,12-14H,3-6,11H2

InChIKey

TZXNFIROZWDBSY-UHFFFAOYSA-N

Compound name

2-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 260.08307 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]+	261.09035	156.3
[M+Na]+	283.07229	163.8
[M+NH4]+	278.11689	161.5
[M+K]+	299.04623	158.8
[M-H]-	259.07579	155.8
[M+Na-2H]-	281.05774	159.0
[M]+	260.08252	157.2
[M]-	260.08362	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe