CID 66569142

1-(3-bromo-piperidin-1-yl)-ethanone

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

CC(=O)N1CCCC(C1)Br

InChI

InChI=1S/C7H12BrNO/c1-6(10)9-4-2-3-7(8)5-9/h7H,2-5H2,1H3

InChIKey

ZLEFMBFCUAGCCW-UHFFFAOYSA-N

Compound name

1-(3-bromopiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.01022 Da
Monoisotopic Mass: 1.0
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	136.7
[M+Na]+	227.99944	138.4
[M+NH4]+	223.04404	141.5
[M+K]+	243.97338	139.1
[M-H]-	204.00294	136.4
[M+Na-2H]-	225.98489	138.6
[M]+	205.00967	135.5
[M]-	205.01077	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe