CID 3281927

N-[(3-fluorophenyl)methyl]cyclopentanamine

Structural Information

Molecular Formula

C₁₂H₁₆FN

SMILES

C1CCC(C1)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C12H16FN/c13-11-5-3-4-10(8-11)9-14-12-6-1-2-7-12/h3-5,8,12,14H,1-2,6-7,9H2

InChIKey

HOPMLUBUCOBORB-UHFFFAOYSA-N

Compound name

N-[(3-fluorophenyl)methyl]cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.12668 Da
Monoisotopic Mass: 3.0
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]+	194.133956	141.7
[M+Na]+	216.115898	147.1
[M-H]-	192.119404	146.5
[M+NH4]+	211.160503	162.4
[M+K]+	232.089838	143.8
[M+H-H2O]+	176.123940	134.1
[M+HCOO]-	238.124881	164.6
[M+CH3COO]-	252.140531	185.3
[M+Na-2H]-	214.101346	145.4
[M]+	193.12613142	136.5
[M]-	193.12722858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe