CID 10822137

1-(bromoacetyl)piperidine

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

C1CCN(CC1)C(=O)CBr

InChI

InChI=1S/C7H12BrNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2

InChIKey

GWJIPNKXIAJCPA-UHFFFAOYSA-N

Compound name

2-bromo-1-piperidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
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	137.4
[M+Na]+	227.99944	138.8
[M+NH4]+	223.04404	142.2
[M+K]+	243.97338	139.2
[M-H]-	204.00294	137.0
[M+Na-2H]-	225.98489	139.4
[M]+	205.00967	136.1
[M]-	205.01077	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe