CID 58252554

1-hydroxyisoquinoline-6-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

189.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 135.3
[M+Na]+ 212.03181 144.9
[M-H]- 188.03531 136.5
[M+NH4]+ 207.07641 153.4
[M+K]+ 228.00575 141.0
[M+H-H2O]+ 172.03985 129.3
[M+HCOO]- 234.04079 155.2
[M+CH3COO]- 248.05644 177.1
[M+Na-2H]- 210.01726 142.8
[M]+ 189.04204 134.3
[M]- 189.04314 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