CID 11817675

130307-08-3

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3

InChIKey

WCOODAWUEIXTFL-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 254.04185 Da
Monoisotopic Mass: 2.5
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]+	255.049126	149.7
[M+Na]+	277.031068	159.5
[M-H]-	253.034574	155.7
[M+NH4]+	272.075673	167.9
[M+K]+	293.005008	148.3
[M+H-H2O]+	237.039110	148.2
[M+HCOO]-	299.040051	166.1
[M+CH3COO]-	313.055701	163.1
[M+Na-2H]-	275.016516	156.0
[M]+	254.04130142	164.3
[M]-	254.04239858	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe