CID 91965

1-(2-methylphenyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1=CC=CC=C1N2CCNCC2

InChI

InChI=1S/C11H16N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

InChIKey

WICKLEOONJPMEQ-UHFFFAOYSA-N

Compound name

1-(2-methylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1939
Patents: 176.13135 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]+	177.13863	141.2
[M+Na]+	199.12057	154.5
[M+NH4]+	194.16517	150.2
[M+K]+	215.09451	146.9
[M-H]-	175.12407	144.7
[M+Na-2H]-	197.10602	149.3
[M]+	176.13080	144.1
[M]-	176.13190	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe