CID 63106141

1092523-03-9

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

CN1C(=O)CCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H10BrNO/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3

InChIKey

NJZZUBLIVYKUJM-UHFFFAOYSA-N

Compound name

6-bromo-1-methyl-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 238.99458 Da
Monoisotopic Mass: 1.9
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]+	240.00186	142.5
[M+Na]+	261.98380	154.8
[M-H]-	237.98730	148.6
[M+NH4]+	257.02840	164.0
[M+K]+	277.95774	143.7
[M+H-H2O]+	221.99184	142.6
[M+HCOO]-	283.99278	160.6
[M+CH3COO]-	298.00843	189.7
[M+Na-2H]-	259.96925	150.3
[M]+	238.99403	159.9
[M]-	238.99513	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe