CID 2697536

143579-17-3

Structural Information

Molecular Formula

C₁₂H₁₅BrN₂O₂

SMILES

C1COCCN1CC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C12H15BrN2O2/c13-10-3-1-2-4-11(10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)

InChIKey

XCXBNQCEWOPMAZ-UHFFFAOYSA-N

Compound name

N-(2-bromophenyl)-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 298.03168 Da
Monoisotopic Mass: 1.1
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]+	299.03896	160.4
[M+Na]+	321.02090	167.7
[M-H]-	297.02440	167.7
[M+NH4]+	316.06550	175.9
[M+K]+	336.99484	157.9
[M+H-H2O]+	281.02894	158.1
[M+HCOO]-	343.02988	177.2
[M+CH3COO]-	357.04553	198.6
[M+Na-2H]-	319.00635	166.5
[M]+	298.03113	175.6
[M]-	298.03223	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe