CID 70544

1-(2,4-dimethylphenyl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1=CC(=C(C=C1)N2CCNCC2)C

InChI

InChI=1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

InChIKey

RUIMBVCRNZHCRQ-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 738
Patents: 190.147 Da
Monoisotopic Mass: 2.6
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	145.5
[M+Na]+	213.13622	158.9
[M+NH4]+	208.18082	154.3
[M+K]+	229.11016	151.3
[M-H]-	189.13972	149.0
[M+Na-2H]-	211.12167	153.1
[M]+	190.14645	148.4
[M]-	190.14755	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe