CID 2986104

874630-03-2

Structural Information

Molecular Formula

C₈H₉F₃N₂O

SMILES

C1=CC(=NC=C1C(F)(F)F)NCCO

InChI

InChI=1S/C8H9F3N2O/c9-8(10,11)6-1-2-7(13-5-6)12-3-4-14/h1-2,5,14H,3-4H2,(H,12,13)

InChIKey

OAKBSTWYSVHIJW-UHFFFAOYSA-N

Compound name

2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 206.0667 Da
Monoisotopic Mass: 1.4
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]+	207.07398	143.0
[M+Na]+	229.05592	151.1
[M+NH4]+	224.10052	147.9
[M+K]+	245.02986	146.6
[M-H]-	205.05942	139.4
[M+Na-2H]-	227.04137	147.1
[M]+	206.06615	142.7
[M]-	206.06725	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe