CID 58252530

1-hydroxyisoquinoline-7-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC(=CC2=C1C=CNC2=O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-8-5-7(10(13)14)2-1-6(8)3-4-11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
POVYCMYIJRLRGP-UHFFFAOYSA-N
Compound name
1-oxo-2H-isoquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

189.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 135.3
[M+Na]+ 212.031808 144.9
[M-H]- 188.035314 136.5
[M+NH4]+ 207.076413 153.4
[M+K]+ 228.005748 141.0
[M+H-H2O]+ 172.039850 129.3
[M+HCOO]- 234.040791 155.2
[M+CH3COO]- 248.056441 177.1
[M+Na-2H]- 210.017256 142.8
[M]+ 189.04204142 134.3
[M]- 189.04313858 134.3
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