CID 22492957

1-boc-4-(3-bromophenoxy)piperidine

Structural Information

Molecular Formula

C₁₆H₂₂BrNO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrNO3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)20-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10H2,1-3H3

InChIKey

OFMHYHKXBMYVPZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 355.0783 Da
Monoisotopic Mass: 4.0
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]+	356.085576	177.0
[M+Na]+	378.067518	184.8
[M-H]-	354.071024	183.9
[M+NH4]+	373.112123	192.4
[M+K]+	394.041458	174.6
[M+H-H2O]+	338.075560	175.5
[M+HCOO]-	400.076501	191.2
[M+CH3COO]-	414.092151	207.3
[M+Na-2H]-	376.052966	180.3
[M]+	355.07775142	194.8
[M]-	355.07884858	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe