CID 21259805

2-hydroxyisoquinolin-3-one

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=CC(=O)N(C=C2C=C1)O
InChI
InChI=1S/C9H7NO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H
InChIKey
WLUOAYNRHBDZJV-UHFFFAOYSA-N
Compound name
2-hydroxyisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.04768 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 128.0
[M+Na]+ 184.036898 138.7
[M-H]- 160.040404 130.8
[M+NH4]+ 179.081503 148.3
[M+K]+ 200.010838 135.4
[M+H-H2O]+ 144.044940 122.0
[M+HCOO]- 206.045881 150.4
[M+CH3COO]- 220.061531 174.3
[M+Na-2H]- 182.022346 137.8
[M]+ 161.04713142 128.4
[M]- 161.04822858 128.4
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