CID 10511170

6-hydroxyisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C=CNC2=O)C=C1O
InChI
InChI=1S/C9H7NO2/c11-7-1-2-8-6(5-7)3-4-10-9(8)12/h1-5,11H,(H,10,12)
InChIKey
GCJZYOIXXVVQKC-UHFFFAOYSA-N
Compound name
6-hydroxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

161.04768 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe