CID 135484882

146743-96-6

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC(=C(C2=CN=C(C=C21)C(=O)O)O)O
InChI
InChI=1S/C10H7NO4/c12-8-2-1-5-3-7(10(14)15)11-4-6(5)9(8)13/h1-4,12-13H,(H,14,15)
InChIKey
OZICLPSVYUHJPG-UHFFFAOYSA-N
Compound name
7,8-dihydroxyisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.0375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 139.5
[M+Na]+ 228.02672 149.1
[M-H]- 204.03022 139.7
[M+NH4]+ 223.07132 156.5
[M+K]+ 244.00066 145.7
[M+H-H2O]+ 188.03476 133.7
[M+HCOO]- 250.03570 157.8
[M+CH3COO]- 264.05135 179.0
[M+Na-2H]- 226.01217 145.9
[M]+ 205.03695 139.2
[M]- 205.03805 139.2
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