CID 98290

35947-11-6

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CC1CNCCN1C2=CC=C(C=C2)C

InChI

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

InChIKey

DECNYCSJSYBABP-UHFFFAOYSA-N

Compound name

2-methyl-1-(4-methylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 90
Patents: 190.147 Da
Monoisotopic Mass: 2.2
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