CID 2451322

565206-91-9

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

COC1=NC2=CC=CC=C2C=C1/C=C/C(=O)O

InChI

InChI=1S/C13H11NO3/c1-17-13-10(6-7-12(15)16)8-9-4-2-3-5-11(9)14-13/h2-8H,1H3,(H,15,16)/b7-6+

InChIKey

FYWLPUONLPZDPD-VOTSOKGWSA-N

Compound name

(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 229.0739 Da
Monoisotopic Mass: 2.4
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]+	230.08118	148.6
[M+Na]+	252.06312	157.4
[M-H]-	228.06662	150.7
[M+NH4]+	247.10772	165.8
[M+K]+	268.03706	153.6
[M+H-H2O]+	212.07116	141.7
[M+HCOO]-	274.07210	169.0
[M+CH3COO]-	288.08775	187.8
[M+Na-2H]-	250.04857	155.0
[M]+	229.07335	150.3
[M]-	229.07445	150.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.