CID 58873546

935520-19-7

Structural Information

Molecular Formula

C₈H₉F₃N₂O

SMILES

COC1=C(C=CC(=N1)C(F)(F)F)CN

InChI

InChI=1S/C8H9F3N2O/c1-14-7-5(4-12)2-3-6(13-7)8(9,10)11/h2-3H,4,12H2,1H3

InChIKey

PPGYPFSRFLIJHQ-UHFFFAOYSA-N

Compound name

[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 206.0667 Da
Monoisotopic Mass: 0.9
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]+	207.07398	143.9
[M+Na]+	229.05592	152.5
[M+NH4]+	224.10052	148.9
[M+K]+	245.02986	148.1
[M-H]-	205.05942	140.6
[M+Na-2H]-	227.04137	147.8
[M]+	206.06615	143.8
[M]-	206.06725	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe