CID 11298404

Methyl cinnoline-6-carboxylate

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

COC(=O)C1=CC2=C(C=C1)N=NC=C2

InChI

InChI=1S/C10H8N2O2/c1-14-10(13)8-2-3-9-7(6-8)4-5-11-12-9/h2-6H,1H3

InChIKey

JMLKGGQGRGKUFU-UHFFFAOYSA-N

Compound name

methyl cinnoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 188.05858 Da
Monoisotopic Mass: 1.0
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]+	189.06586	137.9
[M+Na]+	211.04780	152.4
[M+NH4]+	206.09240	146.1
[M+K]+	227.02174	145.9
[M-H]-	187.05130	139.4
[M+Na-2H]-	209.03325	145.5
[M]+	188.05803	140.3
[M]-	188.05913	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe