CID 21297195

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

Structural Information

Molecular Formula
C9H10N2O
SMILES
CN1C(=O)CNC2=CC=CC=C21
InChI
InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
InChIKey
JFWAVAHCZRTHLM-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

162.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 133.2
[M+Na]+ 185.06854 141.9
[M-H]- 161.07204 133.6
[M+NH4]+ 180.11314 151.9
[M+K]+ 201.04248 138.2
[M+H-H2O]+ 145.07658 126.3
[M+HCOO]- 207.07752 151.1
[M+CH3COO]- 221.09317 145.7
[M+Na-2H]- 183.05399 140.8
[M]+ 162.07877 129.7
[M]- 162.07987 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe