CID 132353744

2138088-92-1

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

C1CCC(CC1)N2C=CC(=CC2=O)Br

InChI

InChI=1S/C11H14BrNO/c12-9-6-7-13(11(14)8-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2

InChIKey

GCWDHONVSZFKKD-UHFFFAOYSA-N

Compound name

4-bromo-1-cyclohexylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.02588 Da
Monoisotopic Mass: 2.6
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]+	256.033156	148.1
[M+Na]+	278.015098	158.0
[M-H]-	254.018604	155.5
[M+NH4]+	273.059703	167.4
[M+K]+	293.989038	147.0
[M+H-H2O]+	238.023140	147.3
[M+HCOO]-	300.024081	166.0
[M+CH3COO]-	314.039731	190.2
[M+Na-2H]-	276.000546	154.3
[M]+	255.02533142	162.9
[M]-	255.02642858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.