CID 2763642

34070-68-3

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1C(=O)NC2=CC=CC=C2N1
InChI
InChI=1S/C9H10N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)
InChIKey
BEAJCHFCYQOFGS-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 134.0
[M+Na]+ 185.06854 142.2
[M-H]- 161.07204 133.0
[M+NH4]+ 180.11314 151.9
[M+K]+ 201.04248 137.6
[M+H-H2O]+ 145.07658 127.4
[M+HCOO]- 207.07752 150.3
[M+CH3COO]- 221.09317 145.8
[M+Na-2H]- 183.05399 141.1
[M]+ 162.07877 128.6
[M]- 162.07987 128.6
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