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

183
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 128.7
[M+Na]+ 184.03690 138.9
[M-H]- 160.04040 130.0
[M+NH4]+ 179.08150 148.2
[M+K]+ 200.01084 134.7
[M+H-H2O]+ 144.04494 123.0
[M+HCOO]- 206.04588 149.5
[M+CH3COO]- 220.06153 171.8
[M+Na-2H]- 182.02235 138.0
[M]+ 161.04713 127.2
[M]- 161.04823 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