CID 853766

67759-57-3

Structural Information

Molecular Formula

C₁₁H₁₃BrN₂O₂

SMILES

C1COCCN1C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H13BrN2O2/c12-9-1-3-10(4-2-9)13-11(15)14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)

InChIKey

MCVRHXACQWHJGA-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)morpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 284.01605 Da
Monoisotopic Mass: 1.4
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]+	285.02333	156.1
[M+Na]+	307.00527	163.9
[M-H]-	283.00877	163.6
[M+NH4]+	302.04987	172.2
[M+K]+	322.97921	154.3
[M+H-H2O]+	267.01331	154.1
[M+HCOO]-	329.01425	173.2
[M+CH3COO]-	343.02990	195.1
[M+Na-2H]-	304.99072	162.7
[M]+	284.01550	170.9
[M]-	284.01660	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe