CID 10882380

327030-39-7

Structural Information

Molecular Formula

C₁₅H₂₁BrN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3

InChIKey

DVJZPRQEOHFPQO-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 340.07864 Da
Monoisotopic Mass: 3.4
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]+	341.08592	170.4
[M+Na]+	363.06786	172.6
[M+NH4]+	358.11246	173.7
[M+K]+	379.04180	173.1
[M-H]-	339.07136	170.6
[M+Na-2H]-	361.05331	173.0
[M]+	340.07809	169.5
[M]-	340.07919	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe