CID 15477317

1060801-96-8

Structural Information

Molecular Formula

C₈H₉F₃N₂

SMILES

CNCC1=CC(=CN=C1)C(F)(F)F

InChI

InChI=1S/C8H9F3N2/c1-12-3-6-2-7(5-13-4-6)8(9,10)11/h2,4-5,12H,3H2,1H3

InChIKey

VGMWDLVTVGODJL-UHFFFAOYSA-N

Compound name

N-methyl-1-[5-(trifluoromethyl)pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	140.5
[M+Na]+	213.06100	149.6
[M+NH4]+	208.10560	146.3
[M+K]+	229.03494	144.2
[M-H]-	189.06450	137.9
[M+Na-2H]-	211.04645	145.5
[M]+	190.07123	140.7
[M]-	190.07233	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe