CID 461359

7652-26-8

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C=CCOC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C12H11NO/c1-2-9-14-11-7-3-5-10-6-4-8-13-12(10)11/h2-8H,1,9H2

InChIKey

IMKZWAWNHDVJLP-UHFFFAOYSA-N

Compound name

8-prop-2-enoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 185.08406 Da
Monoisotopic Mass: 2.5
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]+	186.091336	138.1
[M+Na]+	208.073278	146.9
[M-H]-	184.076784	141.2
[M+NH4]+	203.117883	157.7
[M+K]+	224.047218	143.2
[M+H-H2O]+	168.081320	131.1
[M+HCOO]-	230.082261	160.7
[M+CH3COO]-	244.097911	182.7
[M+Na-2H]-	206.058726	147.4
[M]+	185.08351142	139.4
[M]-	185.08460858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe