CID 68708470

2241139-36-4

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN1CC(=O)NC2=C1C=CC(=C2)N
InChI
InChI=1S/C9H11N3O/c1-12-5-9(13)11-7-4-6(10)2-3-8(7)12/h2-4H,5,10H2,1H3,(H,11,13)
InChIKey
BIVGSMRALPBUCU-UHFFFAOYSA-N
Compound name
7-amino-4-methyl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 137.9
[M+Na]+ 200.07943 146.7
[M-H]- 176.08293 138.2
[M+NH4]+ 195.12403 155.7
[M+K]+ 216.05337 142.6
[M+H-H2O]+ 160.08747 131.0
[M+HCOO]- 222.08841 156.2
[M+CH3COO]- 236.10406 181.2
[M+Na-2H]- 198.06488 144.1
[M]+ 177.08966 133.2
[M]- 177.09076 133.2
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