CID 694497

60465-14-7

Structural Information

Molecular Formula

C₁₂H₁₅BrN₂O

SMILES

C1CCN(CC1)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H15BrN2O/c13-10-4-6-11(7-5-10)14-12(16)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,16)

InChIKey

LNBWMZSSEJQSNM-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)piperidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 167
Patents: 282.03677 Da
Monoisotopic Mass: 2.6
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]+	283.04405	156.7
[M+Na]+	305.02599	164.1
[M-H]-	281.02949	163.4
[M+NH4]+	300.07059	174.1
[M+K]+	320.99993	152.9
[M+H-H2O]+	265.03403	154.8
[M+HCOO]-	327.03497	174.2
[M+CH3COO]-	341.05062	195.9
[M+Na-2H]-	303.01144	162.2
[M]+	282.03622	169.9
[M]-	282.03732	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe