CID 13996876

40299-87-4

Structural Information

Molecular Formula

C₆H₁₀BrNO₂

SMILES

C1COCCN1C(=O)CBr

InChI

InChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2

InChIKey

LLLQAMNGYJQUKK-UHFFFAOYSA-N

Compound name

2-bromo-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 474
Patents: 206.98949 Da
Monoisotopic Mass: 0.1
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]+	207.99677	136.6
[M+Na]+	229.97871	145.6
[M-H]-	205.98221	141.4
[M+NH4]+	225.02331	156.3
[M+K]+	245.95265	137.6
[M+H-H2O]+	189.98675	136.4
[M+HCOO]-	251.98769	153.1
[M+CH3COO]-	266.00334	180.0
[M+Na-2H]-	227.96416	144.1
[M]+	206.98894	152.6
[M]-	206.99004	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe