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

179
Patents

161.04768 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 129.6
[M+Na]+ 184.03690 144.2
[M+NH4]+ 179.08150 138.3
[M+K]+ 200.01084 137.7
[M-H]- 160.04040 131.2
[M+Na-2H]- 182.02235 136.9
[M]+ 161.04713 132.1
[M]- 161.04823 132.1
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