CID 5491788

2h-isoquinolin-1-one, 6,8-dihydroxy-

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CNC(=O)C2=C(C=C(C=C21)O)O
InChI
InChI=1S/C9H7NO3/c11-6-3-5-1-2-10-9(13)8(5)7(12)4-6/h1-4,11-12H,(H,10,13)
InChIKey
UJOQYPUDGCNYSS-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

177.04259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 133.2
[M+Na]+ 200.03181 147.1
[M+NH4]+ 195.07641 140.9
[M+K]+ 216.00575 141.7
[M-H]- 176.03531 133.9
[M+Na-2H]- 198.01726 139.1
[M]+ 177.04204 135.2
[M]- 177.04314 135.2
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