CID 21133880

Chembl4212506

Structural Information

Molecular Formula

C₁₄H₁₈FNO

SMILES

CC(=O)N1CCC(CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3

InChIKey

OOMYIKQRRZLESA-UHFFFAOYSA-N

Compound name

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 235.13724 Da
Monoisotopic Mass: 2.5
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]+	236.14452	154.0
[M+Na]+	258.12646	159.5
[M-H]-	234.12996	157.2
[M+NH4]+	253.17106	170.3
[M+K]+	274.10040	156.1
[M+H-H2O]+	218.13450	145.2
[M+HCOO]-	280.13544	171.1
[M+CH3COO]-	294.15109	192.0
[M+Na-2H]-	256.11191	155.8
[M]+	235.13669	149.0
[M]-	235.13779	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe