CID 84629915

7-bromo-1-methyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CN1C(=O)CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKey
IGSLUAVKYIONOZ-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.98982 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 142.7
[M+Na]+ 262.979038 155.0
[M-H]- 238.982544 146.1
[M+NH4]+ 258.023643 162.2
[M+K]+ 278.952978 143.0
[M+H-H2O]+ 222.987080 142.4
[M+HCOO]- 284.988021 158.4
[M+CH3COO]- 299.003671 187.1
[M+Na-2H]- 260.964486 150.5
[M]+ 239.98927142 158.5
[M]- 239.99036858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe