CID 818159

3-hydroxyquinolin-2(1h)-one

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)O
InChI
InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
InChIKey
BERPCVULMUPOER-UHFFFAOYSA-N
Compound name
3-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

2000
Patents

161.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 128.7
[M+Na]+ 184.036898 138.9
[M-H]- 160.040404 130.0
[M+NH4]+ 179.081503 148.2
[M+K]+ 200.010838 134.7
[M+H-H2O]+ 144.044940 123.0
[M+HCOO]- 206.045881 149.5
[M+CH3COO]- 220.061531 171.8
[M+Na-2H]- 182.022346 138.0
[M]+ 161.04713142 127.2
[M]- 161.04822858 127.2
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