CID 13012636

7-hydroxyisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC(=CC2=C1C=CNC2=O)O
InChI
InChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12)
InChIKey
JCSSLGUHFFFJRW-UHFFFAOYSA-N
Compound name
7-hydroxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

literature stripe

Patent stripe

patents stripe