CID 6484141

876715-91-2

Structural Information

Molecular Formula

C₁₃H₂₀FN₃

SMILES

CN1CCN(CC1)C(CN)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3

InChIKey

SGZLJAMRWOGKGC-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 237.16412 Da
Monoisotopic Mass: 0.8
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]+	238.171396	156.6
[M+Na]+	260.153338	161.5
[M-H]-	236.156844	157.9
[M+NH4]+	255.197943	170.8
[M+K]+	276.127278	157.6
[M+H-H2O]+	220.161380	146.7
[M+HCOO]-	282.162321	172.7
[M+CH3COO]-	296.177971	195.4
[M+Na-2H]-	258.138786	158.4
[M]+	237.16357142	149.4
[M]-	237.16466858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe