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]+ 178.097486 137.9
[M+Na]+ 200.079428 146.7
[M-H]- 176.082934 138.2
[M+NH4]+ 195.124033 155.7
[M+K]+ 216.053368 142.6
[M+H-H2O]+ 160.087470 131.0
[M+HCOO]- 222.088411 156.2
[M+CH3COO]- 236.104061 181.2
[M+Na-2H]- 198.064876 144.1
[M]+ 177.08966142 133.2
[M]- 177.09075858 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