CID 10488624

1429505-77-0

Structural Information

Molecular Formula

C₁₂H₁₆FNO

SMILES

C1CNCCC1(CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C12H16FNO/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12/h1-4,14-15H,5-9H2

InChIKey

XNOZKVAOXOLUBS-UHFFFAOYSA-N

Compound name

4-[(4-fluorophenyl)methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 209.1216 Da
Monoisotopic Mass: 1.5
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]+	210.12888	147.4
[M+Na]+	232.11082	152.9
[M-H]-	208.11432	148.1
[M+NH4]+	227.15542	165.1
[M+K]+	248.08476	148.5
[M+H-H2O]+	192.11886	139.7
[M+HCOO]-	254.11980	163.0
[M+CH3COO]-	268.13545	179.9
[M+Na-2H]-	230.09627	152.3
[M]+	209.12105	139.3
[M]-	209.12215	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe