CID 26967019

957063-06-8

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O₂

SMILES

C1COCCN1C(=O)C2=NC=C(C=C2)Br

InChI

InChI=1S/C10H11BrN2O2/c11-8-1-2-9(12-7-8)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2

InChIKey

WTHVKZJDIPQZNG-UHFFFAOYSA-N

Compound name

(5-bromopyridin-2-yl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 270.0004 Da
Monoisotopic Mass: 1.0
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]+	271.00768	149.8
[M+Na]+	292.98962	153.2
[M+NH4]+	288.03422	153.9
[M+K]+	308.96356	153.8
[M-H]-	268.99312	151.8
[M+Na-2H]-	290.97507	153.4
[M]+	269.99985	149.6
[M]-	270.00095	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe