CID 130066589

4-(4-bromo-2-methylphenyl)morpholin-3-one

Structural Information

Molecular Formula

C₁₁H₁₂BrNO₂

SMILES

CC1=C(C=CC(=C1)Br)N2CCOCC2=O

InChI

InChI=1S/C11H12BrNO2/c1-8-6-9(12)2-3-10(8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3

InChIKey

BZHSBFSAKNORQC-UHFFFAOYSA-N

Compound name

4-(4-bromo-2-methylphenyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.00513 Da
Monoisotopic Mass: 2.0
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]+	270.012406	151.0
[M+Na]+	291.994348	161.8
[M-H]-	267.997854	159.4
[M+NH4]+	287.038953	168.8
[M+K]+	307.968288	152.1
[M+H-H2O]+	252.002390	150.1
[M+HCOO]-	314.003331	168.3
[M+CH3COO]-	328.018981	193.1
[M+Na-2H]-	289.979796	157.3
[M]+	269.00458142	168.1
[M]-	269.00567858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.