CID 571571

Allyl isonicotinate

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)C1=CC=NC=C1

InChI

InChI=1S/C9H9NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h2-6H,1,7H2

InChIKey

ORSMQFTVFDSEBA-UHFFFAOYSA-N

Compound name

prop-2-enyl pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 163.06332 Da
Monoisotopic Mass: 1.3
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]+	164.07060	133.8
[M+Na]+	186.05254	146.4
[M+NH4]+	181.09714	141.4
[M+K]+	202.02648	140.2
[M-H]-	162.05604	134.7
[M+Na-2H]-	184.03799	140.7
[M]+	163.06277	135.7
[M]-	163.06387	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe