CID 90433896

Schembl16068142

Structural Information

Molecular Formula

C₈H₉F₃N₂

SMILES

CCC1=C(C=CC(=N1)C(F)(F)F)N

InChI

InChI=1S/C8H9F3N2/c1-2-6-5(12)3-4-7(13-6)8(9,10)11/h3-4H,2,12H2,1H3

InChIKey

GXMHSJMEGOPVCV-UHFFFAOYSA-N

Compound name

2-ethyl-6-(trifluoromethyl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.07178 Da
Monoisotopic Mass: 1.9
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	146.2
[M-H]-	189.06450	135.1
[M+NH4]+	208.10560	154.9
[M+K]+	229.03494	143.0
[M+H-H2O]+	173.06904	128.1
[M+HCOO]-	235.06998	155.8
[M+CH3COO]-	249.08563	185.3
[M+Na-2H]-	211.04645	142.0
[M]+	190.07123	131.5
[M]-	190.07233	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe