CID 185949

3,4-dihydro-2(1h)-quinoxalinone

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C(=O)NC2=CC=CC=C2N1
InChI
InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11)
InChIKey
HYTIPJFUWHYQON-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1432
Patents

148.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 129.1
[M+Na]+ 171.05288 136.8
[M-H]- 147.05638 127.9
[M+NH4]+ 166.09748 147.3
[M+K]+ 187.02682 132.5
[M+H-H2O]+ 131.06092 122.5
[M+HCOO]- 193.06186 145.8
[M+CH3COO]- 207.07751 141.0
[M+Na-2H]- 169.03833 137.6
[M]+ 148.06311 123.1
[M]- 148.06421 123.1
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