CID 764723

1-(4-methylbenzyl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1=CC=C(C=C1)CN2CCNCC2

InChI

InChI=1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3

InChIKey

RNAXUUAJNMDESG-UHFFFAOYSA-N

Compound name

1-[(4-methylphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 190.147 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]+	191.15428	145.7
[M+Na]+	213.13622	158.8
[M+NH4]+	208.18082	154.6
[M+K]+	229.11016	151.0
[M-H]-	189.13972	149.2
[M+Na-2H]-	211.12167	153.5
[M]+	190.14645	148.5
[M]-	190.14755	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe