CID 21897605

832715-03-4

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O

SMILES

C1CN(CCC1O)C2=NC=C(C=C2)C(F)(F)F

InChI

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

InChIKey

DLAYRTOUIFQCOR-UHFFFAOYSA-N

Compound name

1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 246.09799 Da
Monoisotopic Mass: 2.1
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]+	247.10527	153.4
[M+Na]+	269.08721	160.3
[M-H]-	245.09071	151.7
[M+NH4]+	264.13181	167.2
[M+K]+	285.06115	156.1
[M+H-H2O]+	229.09525	142.8
[M+HCOO]-	291.09619	165.7
[M+CH3COO]-	305.11184	189.0
[M+Na-2H]-	267.07266	157.0
[M]+	246.09744	144.5
[M]-	246.09854	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe