CID 200991

1-methyl-4-phenylpiperazine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CN1CCN(CC1)C2=CC=CC=C2

InChI

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

InChIKey

WQDDXVGJRSTLED-UHFFFAOYSA-N

Compound name

1-methyl-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1774
Patents: 176.13135 Da
Monoisotopic Mass: 1.5
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	140.8
[M+Na]+	199.12057	154.6
[M+NH4]+	194.16517	150.1
[M+K]+	215.09451	146.7
[M-H]-	175.12407	144.8
[M+Na-2H]-	197.10602	149.5
[M]+	176.13080	143.9
[M]-	176.13190	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe