CID 53408641

Methyl isoquinoline-8-carboxylate

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

COC(=O)C1=CC=CC2=C1C=NC=C2

InChI

InChI=1S/C11H9NO2/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9/h2-7H,1H3

InChIKey

QHXHWOJLSCPSKV-UHFFFAOYSA-N

Compound name

methyl isoquinoline-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 187.06332 Da
Monoisotopic Mass: 2.0
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	137.7
[M+Na]+	210.05254	152.3
[M+NH4]+	205.09714	146.7
[M+K]+	226.02648	145.4
[M-H]-	186.05604	140.1
[M+Na-2H]-	208.03799	145.6
[M]+	187.06277	140.5
[M]-	187.06387	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe