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	138.1
[M+Na]+	227.99944	146.8
[M-H]-	204.00294	142.2
[M+NH4]+	223.04404	159.1
[M+K]+	243.97338	137.2
[M+H-H2O]+	188.00748	138.0
[M+HCOO]-	250.00842	155.0
[M+CH3COO]-	264.02407	181.0
[M+Na-2H]-	225.98489	144.2
[M]+	205.00967	152.5
[M]-	205.01077	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe