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)-2-pyridinyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	247.105266	153.4
[M+Na]+	269.087208	160.3
[M-H]-	245.090714	151.7
[M+NH4]+	264.131813	167.2
[M+K]+	285.061148	156.1
[M+H-H2O]+	229.095250	142.8
[M+HCOO]-	291.096191	165.7
[M+CH3COO]-	305.111841	189.0
[M+Na-2H]-	267.072656	157.0
[M]+	246.09744142	144.5
[M]-	246.09853858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe