CID 3830223

886371-24-0

Structural Information

Molecular Formula

C₇H₇F₃N₂

SMILES

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

InChI

InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-3-12-6(5)4-11/h1-3H,4,11H2

InChIKey

WJKDJSRGLDAXHI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 176.05614 Da
Monoisotopic Mass: 0.6
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]+	177.06342	136.0
[M+Na]+	199.04536	145.0
[M+NH4]+	194.08996	141.8
[M+K]+	215.01930	140.1
[M-H]-	175.04886	133.3
[M+Na-2H]-	197.03081	140.9
[M]+	176.05559	136.2
[M]-	176.05669	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe