CID 129944657

3-(6-bromopyridin-3-yl)morpholine

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

C1COCC(N1)C2=CN=C(C=C2)Br

InChI

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

InChIKey

RMTHREWRDFQBCR-UHFFFAOYSA-N

Compound name

3-(6-bromo-3-pyridinyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.00548 Da
Monoisotopic Mass: 0.9
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]+	243.012756	145.2
[M+Na]+	264.994698	154.4
[M-H]-	240.998204	150.4
[M+NH4]+	260.039303	161.5
[M+K]+	280.968638	144.2
[M+H-H2O]+	225.002740	143.8
[M+HCOO]-	287.003681	160.0
[M+CH3COO]-	301.019331	158.2
[M+Na-2H]-	262.980146	153.3
[M]+	242.00493142	158.9
[M]-	242.00602858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe