CID 18357169

2-(piperidin-4-yloxy)-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O

SMILES

C1CNCCC1OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2

InChIKey

KUDNJELAUXSOIL-UHFFFAOYSA-N

Compound name

2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 246.09799 Da
Monoisotopic Mass: 2.2
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]+	247.10527	153.1
[M+Na]+	269.08721	159.0
[M-H]-	245.09071	150.9
[M+NH4]+	264.13181	166.5
[M+K]+	285.06115	154.7
[M+H-H2O]+	229.09525	142.2
[M+HCOO]-	291.09619	165.3
[M+CH3COO]-	305.11184	187.9
[M+Na-2H]-	267.07266	157.4
[M]+	246.09744	143.8
[M]-	246.09854	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe