CID 97289954

6-aminoisoquinolin-3-ol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC2=CNC(=O)C=C2C=C1N
InChI
InChI=1S/C9H8N2O/c10-8-2-1-6-5-11-9(12)4-7(6)3-8/h1-5H,10H2,(H,11,12)
InChIKey
RXNVQOXXZBDZDU-UHFFFAOYSA-N
Compound name
6-amino-2H-isoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.9
[M+Na]+ 183.05288 143.9
[M+NH4]+ 178.09748 138.8
[M+K]+ 199.02682 137.2
[M-H]- 159.05638 132.6
[M+Na-2H]- 181.03833 137.4
[M]+ 160.06311 132.5
[M]- 160.06421 132.5
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

No patent data available for this compound.