CID 594793

42712-64-1

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C2C(=C1)C(=O)C=C(N2)N
InChI
InChI=1S/C9H8N2O/c10-9-5-8(12)6-3-1-2-4-7(6)11-9/h1-5H,(H3,10,11,12)
InChIKey
LWGUCIXHBVVATR-UHFFFAOYSA-N
Compound name
2-amino-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

145
Patents

160.06366 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.9
[M+Na]+ 183.05288 143.9
[M+NH4]+ 178.09748 138.8
[M+K]+ 199.02682 137.2
[M-H]- 159.05638 132.6
[M+Na-2H]- 181.03833 137.4
[M]+ 160.06311 132.5
[M]- 160.06421 132.5
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