CID 22667740

305790-79-8

Structural Information

Molecular Formula

C₉H₉BrN₂O

SMILES

CN1CC(=O)NC2=C1C=C(C=C2)Br

InChI

InChI=1S/C9H9BrN2O/c1-12-5-9(13)11-7-3-2-6(10)4-8(7)12/h2-4H,5H2,1H3,(H,11,13)

InChIKey

PEBBLUUDVVUJSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 239.98982 Da
Monoisotopic Mass: 1.7
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]+	240.99710	143.8
[M+Na]+	262.97904	147.8
[M+NH4]+	258.02364	148.5
[M+K]+	278.95298	147.5
[M-H]-	238.98254	143.7
[M+Na-2H]-	260.96449	146.2
[M]+	239.98927	143.1
[M]-	239.99037	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe