CID 129958752

2-(5-bromo-2-pyridyl)morpholine

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

C1COC(CN1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C9H11BrN2O/c10-7-1-2-8(12-5-7)9-6-11-3-4-13-9/h1-2,5,9,11H,3-4,6H2

InChIKey

RZIWBGHCXXIWNP-UHFFFAOYSA-N

Compound name

2-(5-bromopyridin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.00548 Da
Monoisotopic Mass: 0.6
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]+	243.01276	145.2
[M+Na]+	264.99470	154.4
[M-H]-	240.99820	150.4
[M+NH4]+	260.03930	161.5
[M+K]+	280.96864	144.2
[M+H-H2O]+	225.00274	143.8
[M+HCOO]-	287.00368	160.0
[M+CH3COO]-	301.01933	158.2
[M+Na-2H]-	262.98015	153.3
[M]+	242.00493	158.9
[M]-	242.00603	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe