CID 58704

101670-58-0

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1C(C2=C(C(=C(C=C2)O)O)C(=O)N1)O
InChI
InChI=1S/C9H9NO4/c11-5-2-1-4-6(12)3-10-9(14)7(4)8(5)13/h1-2,6,11-13H,3H2,(H,10,14)
InChIKey
GEGJZKUTKNPRSG-UHFFFAOYSA-N
Compound name
4,7,8-trihydroxy-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.9
[M+Na]+ 218.04238 150.3
[M+NH4]+ 213.08698 145.5
[M+K]+ 234.01632 146.3
[M-H]- 194.04588 138.2
[M+Na-2H]- 216.02783 141.7
[M]+ 195.05261 140.0
[M]- 195.05371 140.0
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