CID 67322618

2-(4-fluoropiperidin-4-yl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

C1CNCCC1(C2=CC=CC=N2)F

InChI

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

InChIKey

MVSVTHNWKJDHKF-UHFFFAOYSA-N

Compound name

2-(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	139.3
[M+Na]+	203.09550	145.2
[M-H]-	179.09900	139.8
[M+NH4]+	198.14010	157.2
[M+K]+	219.06944	141.5
[M+H-H2O]+	163.10354	130.4
[M+HCOO]-	225.10448	155.5
[M+CH3COO]-	239.12013	150.3
[M+Na-2H]-	201.08095	146.4
[M]+	180.10573	131.0
[M]-	180.10683	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe