CID 17907242

2-(isoquinolin-8-yl)acetic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1=CC2=C(C=NC=C2)C(=C1)CC(=O)O

InChI

InChI=1S/C11H9NO2/c13-11(14)6-9-3-1-2-8-4-5-12-7-10(8)9/h1-5,7H,6H2,(H,13,14)

InChIKey

IMRWVKLIXGNZKQ-UHFFFAOYSA-N

Compound name

2-isoquinolin-8-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 187.06332 Da
Monoisotopic Mass: 1.6
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]+	188.07060	138.1
[M+Na]+	210.05254	152.1
[M+NH4]+	205.09714	146.7
[M+K]+	226.02648	145.5
[M-H]-	186.05604	140.0
[M+Na-2H]-	208.03799	145.4
[M]+	187.06277	140.6
[M]-	187.06387	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe