CID 135484881

146515-42-6

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=C2C=C(N=CC2=CC(=C1O)O)C(=O)N
InChI
InChI=1S/C10H8N2O3/c11-10(15)7-1-5-2-8(13)9(14)3-6(5)4-12-7/h1-4,13-14H,(H2,11,15)
InChIKey
BVRMGHVXNRKAIZ-UHFFFAOYSA-N
Compound name
6,7-dihydroxyisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

204.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.7
[M+Na]+ 227.04272 150.0
[M-H]- 203.04622 141.7
[M+NH4]+ 222.08732 157.9
[M+K]+ 243.01666 146.4
[M+H-H2O]+ 187.05076 134.5
[M+HCOO]- 249.05170 160.7
[M+CH3COO]- 263.06735 183.7
[M+Na-2H]- 225.02817 146.8
[M]+ 204.05295 139.1
[M]- 204.05405 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe