CID 121597589

6-(bromomethyl)-4-methylmorpholin-3-one

Structural Information

Molecular Formula

C₆H₁₀BrNO₂

SMILES

CN1CC(OCC1=O)CBr

InChI

InChI=1S/C6H10BrNO2/c1-8-3-5(2-7)10-4-6(8)9/h5H,2-4H2,1H3

InChIKey

DQTKNGAIJDMEGT-UHFFFAOYSA-N

Compound name

6-(bromomethyl)-4-methylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.98949 Da
Monoisotopic Mass: 0.2
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]+	207.996766	134.9
[M+Na]+	229.978708	145.8
[M-H]-	205.982214	140.3
[M+NH4]+	225.023313	155.1
[M+K]+	245.952648	137.3
[M+H-H2O]+	189.986750	134.9
[M+HCOO]-	251.987691	152.2
[M+CH3COO]-	266.003341	182.0
[M+Na-2H]-	227.964156	142.3
[M]+	206.98894142	152.2
[M]-	206.99003858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.