CID 121597700

5-(bromomethyl)-1-methyl-2-piperidinone

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

CN1CC(CCC1=O)CBr

InChI

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

InChIKey

DBCUOYZOPYEUCP-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-1-methylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.01022 Da
Monoisotopic Mass: 0.8
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	136.2
[M+Na]+	227.99944	146.7
[M-H]-	204.00294	140.8
[M+NH4]+	223.04404	157.7
[M+K]+	243.97338	136.7
[M+H-H2O]+	188.00748	136.3
[M+HCOO]-	250.00842	153.9
[M+CH3COO]-	264.02407	183.0
[M+Na-2H]-	225.98489	142.2
[M]+	205.00967	151.9
[M]-	205.01077	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe