CID 2758626

1-(3,5-dimethylphenyl)piperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

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

InChI

InChI=1S/C12H18N2/c1-10-7-11(2)9-12(8-10)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3

InChIKey

RBSSPJDOINFUCR-UHFFFAOYSA-N

Compound name

1-(3,5-dimethylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 190.147 Da
Monoisotopic Mass: 2.1
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

No literature data available for this compound.

Patent stripe

patents stripe