CID 27281782

1-n-boc-4-(4-bromophenyl)piperidine

Structural Information

Molecular Formula

C₁₆H₂₂BrNO₂

SMILES

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

InChI

InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3

InChIKey

UEOHLUHRQWYQRT-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 374
Patents: 339.0834 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]+	340.09068	174.4
[M+Na]+	362.07262	182.4
[M-H]-	338.07612	181.4
[M+NH4]+	357.11722	190.6
[M+K]+	378.04656	171.6
[M+H-H2O]+	322.08066	173.1
[M+HCOO]-	384.08160	188.4
[M+CH3COO]-	398.09725	205.3
[M+Na-2H]-	360.05807	177.6
[M]+	339.08285	190.8
[M]-	339.08395	190.8

Literature stripe

literature stripe

Patent stripe

patents stripe