CID 769677

1-(4-ethylbenzyl)piperazine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CCC1=CC=C(C=C1)CN2CCNCC2

InChI

InChI=1S/C13H20N2/c1-2-12-3-5-13(6-4-12)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3

InChIKey

FUHWWXRPMBXPNY-UHFFFAOYSA-N

Compound name

1-[(4-ethylphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 204.16264 Da
Monoisotopic Mass: 1.9
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]+	205.169916	149.6
[M+Na]+	227.151858	154.1
[M-H]-	203.155364	150.9
[M+NH4]+	222.196463	164.8
[M+K]+	243.125798	149.8
[M+H-H2O]+	187.159900	140.9
[M+HCOO]-	249.160841	165.8
[M+CH3COO]-	263.176491	183.9
[M+Na-2H]-	225.137306	154.0
[M]+	204.16209142	143.5
[M]-	204.16318858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe