CID 5491788

92446-27-0

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

39
Patents

177.04259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 132.4
[M+Na]+ 200.031808 143.0
[M-H]- 176.035314 132.7
[M+NH4]+ 195.076413 150.8
[M+K]+ 216.005748 138.5
[M+H-H2O]+ 160.039850 126.9
[M+HCOO]- 222.040791 151.9
[M+CH3COO]- 236.056441 172.8
[M+Na-2H]- 198.017256 140.5
[M]+ 177.04204142 131.0
[M]- 177.04313858 131.0
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