CID 15132433

92539-14-5

Structural Information

Molecular Formula

C₁₂H₁₇FN₂

SMILES

C1CN(CCC1N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H17FN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2

InChIKey

KRIHULMCWJRKQE-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 208.13757 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]+	209.14485	147.0
[M+Na]+	231.12679	152.5
[M-H]-	207.13029	149.8
[M+NH4]+	226.17139	163.8
[M+K]+	247.10073	148.6
[M+H-H2O]+	191.13483	138.2
[M+HCOO]-	253.13577	165.8
[M+CH3COO]-	267.15142	188.7
[M+Na-2H]-	229.11224	150.4
[M]+	208.13702	139.5
[M]-	208.13812	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe