CID 2846645

359878-47-0

Structural Information

Molecular Formula

C₁₃H₁₉FN₂

SMILES

CN1CCC(CC1)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-5,13,15H,6-10H2,1H3

InChIKey

PLYWEOOWONUOBN-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 222.15323 Da
Monoisotopic Mass: 2.0
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]+	223.16051	152.7
[M+Na]+	245.14245	164.3
[M+NH4]+	240.18705	161.1
[M+K]+	261.11639	156.4
[M-H]-	221.14595	156.1
[M+Na-2H]-	243.12790	159.8
[M]+	222.15268	155.1
[M]-	222.15378	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe