CID 18669065

2-benzyl-1-methylpiperazine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CN1CCNCC1CC2=CC=CC=C2

InChI

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

InChIKey

BYCJMYBUFIKCPP-UHFFFAOYSA-N

Compound name

2-benzyl-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 190.147 Da
Monoisotopic Mass: 1.6
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	145.7
[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

No literature data available for this compound.

Patent stripe

patents stripe