CID 820224

1,2,5,6,7,8-hexahydroquinoxalin-2-one

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CCC2=C(C1)NC(=O)C=N2
InChI
InChI=1S/C8H10N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h5H,1-4H2,(H,10,11)
InChIKey
LSGFRZKZEUUPIP-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

150.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 128.9
[M+Na]+ 173.06854 137.0
[M-H]- 149.07204 129.1
[M+NH4]+ 168.11314 147.7
[M+K]+ 189.04248 133.6
[M+H-H2O]+ 133.07658 121.9
[M+HCOO]- 195.07752 147.1
[M+CH3COO]- 209.09317 141.4
[M+Na-2H]- 171.05399 137.7
[M]+ 150.07877 124.6
[M]- 150.07987 124.6
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