CID 83816918

3-(4-fluoropiperidin-4-yl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

C1CNCCC1(C2=CN=CC=C2)F

InChI

InChI=1S/C10H13FN2/c11-10(3-6-12-7-4-10)9-2-1-5-13-8-9/h1-2,5,8,12H,3-4,6-7H2

InChIKey

MXNODKZXBKGGGT-UHFFFAOYSA-N

Compound name

3-(4-fluoropiperidin-4-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 180.10628 Da
Monoisotopic Mass: 0.9
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]+	181.11356	140.8
[M+Na]+	203.09550	153.0
[M+NH4]+	198.14010	150.5
[M+K]+	219.06944	143.9
[M-H]-	179.09900	142.7
[M+Na-2H]-	201.08095	150.0
[M]+	180.10573	143.1
[M]-	180.10683	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe