CID 53403607

910386-53-7

Structural Information

Molecular Formula

C₈H₉F₃N₂

SMILES

C1=CC(=C(N=C1)CCN)C(F)(F)F

InChI

InChI=1S/C8H9F3N2/c9-8(10,11)6-2-1-5-13-7(6)3-4-12/h1-2,5H,3-4,12H2

InChIKey

HTAZSRWOLARSMX-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)pyridin-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.07178 Da
Monoisotopic Mass: 1.1
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]+	191.07906	136.6
[M+Na]+	213.06100	145.2
[M-H]-	189.06450	134.7
[M+NH4]+	208.10560	154.6
[M+K]+	229.03494	142.0
[M+H-H2O]+	173.06904	127.7
[M+HCOO]-	235.06998	155.8
[M+CH3COO]-	249.08563	184.2
[M+Na-2H]-	211.04645	142.7
[M]+	190.07123	131.1
[M]-	190.07233	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe