CID 12189837

49785-85-5

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

CN1CCCC(C1=O)Br

InChI

InChI=1S/C6H10BrNO/c1-8-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3

InChIKey

BCDLQVAFWJZKTG-UHFFFAOYSA-N

Compound name

3-bromo-1-methylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 190.99458 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]+	192.001856	131.6
[M+Na]+	213.983798	142.6
[M-H]-	189.987304	136.4
[M+NH4]+	209.028403	153.7
[M+K]+	229.957738	132.7
[M+H-H2O]+	173.991840	132.0
[M+HCOO]-	235.992781	149.6
[M+CH3COO]-	250.008431	180.1
[M+Na-2H]-	211.969246	138.2
[M]+	190.99403142	146.9
[M]-	190.99512858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe