CID 16059046

331767-56-7

Structural Information

Molecular Formula

C₁₄H₂₀BrN₃O₂

SMILES

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

InChI

InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3

InChIKey

CQSAPHUUCUUHNS-UHFFFAOYSA-N

Compound name

tert-butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 341.07388 Da
Monoisotopic Mass: 3.0
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]+	342.08116	170.7
[M+Na]+	364.06310	172.8
[M+NH4]+	359.10770	173.3
[M+K]+	380.03704	173.8
[M-H]-	340.06660	170.2
[M+Na-2H]-	362.04855	173.0
[M]+	341.07333	169.6
[M]-	341.07443	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe