CID 20115696

27144-84-9

Structural Information

Molecular Formula

C₁₂H₁₈FN₃

SMILES

C1CN(CCN1CCN)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H18FN3/c13-11-1-3-12(4-2-11)16-9-7-15(6-5-14)8-10-16/h1-4H,5-10,14H2

InChIKey

ARMGEGHYHDTIII-UHFFFAOYSA-N

Compound name

2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 223.14848 Da
Monoisotopic Mass: 1.0
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]+	224.15576	151.8
[M+Na]+	246.13770	157.4
[M-H]-	222.14120	153.1
[M+NH4]+	241.18230	166.7
[M+K]+	262.11164	153.2
[M+H-H2O]+	206.14574	141.9
[M+HCOO]-	268.14668	169.2
[M+CH3COO]-	282.16233	191.5
[M+Na-2H]-	244.12315	155.3
[M]+	223.14793	144.9
[M]-	223.14903	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe