CID 21388332

3-bromo-1-ethylpiperidin-2-one

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

CCN1CCCC(C1=O)Br

InChI

InChI=1S/C7H12BrNO/c1-2-9-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3

InChIKey

QMNCTCDOZNVJIC-UHFFFAOYSA-N

Compound name

3-bromo-1-ethylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.01022 Da
Monoisotopic Mass: 1.4
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]+	206.01750	137.5
[M+Na]+	227.99944	139.8
[M+NH4]+	223.04404	142.4
[M+K]+	243.97338	139.8
[M-H]-	204.00294	137.4
[M+Na-2H]-	225.98489	139.4
[M]+	205.00967	136.5
[M]-	205.01077	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe