CID 56773841

4-{[(3-fluorophenyl)amino]methyl}piperidin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₇FN₂O

SMILES

C1CNCCC1(CNC2=CC(=CC=C2)F)O

InChI

InChI=1S/C12H17FN2O/c13-10-2-1-3-11(8-10)15-9-12(16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2

InChIKey

JUKUNHBPRLZLIH-UHFFFAOYSA-N

Compound name

4-[(3-fluoroanilino)methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 224.13249 Da
Monoisotopic Mass: 1.3
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]+	225.139766	150.2
[M+Na]+	247.121708	154.8
[M-H]-	223.125214	150.7
[M+NH4]+	242.166313	166.9
[M+K]+	263.095648	150.3
[M+H-H2O]+	207.129750	142.1
[M+HCOO]-	269.130691	166.8
[M+CH3COO]-	283.146341	184.9
[M+Na-2H]-	245.107156	155.6
[M]+	224.13194142	141.4
[M]-	224.13303858	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.