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: 82
Patents: 189.04259 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.04987	136.6
[M+Na]+	212.03181	150.1
[M+NH4]+	207.07641	144.1
[M+K]+	228.00575	144.7
[M-H]-	188.03531	137.2
[M+Na-2H]-	210.01726	142.6
[M]+	189.04204	138.5
[M]-	189.04314	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe