CID 22894003

1082915-85-2

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

CC(=O)N1CCC(CC1)Br

InChI

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

InChIKey

IJQWPBRRNBHHRW-UHFFFAOYSA-N

Compound name

1-(4-bromopiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	137.4
[M+Na]+	227.99944	147.0
[M-H]-	204.00294	141.9
[M+NH4]+	223.04404	158.7
[M+K]+	243.97338	137.3
[M+H-H2O]+	188.00748	137.5
[M+HCOO]-	250.00842	154.3
[M+CH3COO]-	264.02407	182.1
[M+Na-2H]-	225.98489	142.9
[M]+	205.00967	152.1
[M]-	205.01077	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe