CID 61337

Allyl 2-furoate

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C=CCOC(=O)C1=CC=CO1

InChI

InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2

InChIKey

SJRQTHAMRUOPBJ-UHFFFAOYSA-N

Compound name

prop-2-enyl furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 156
Patents: 152.04735 Da
Monoisotopic Mass: 1.6
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]+	153.05463	130.4
[M+Na]+	175.03657	141.2
[M+NH4]+	170.08117	138.0
[M+K]+	191.01051	138.1
[M-H]-	151.04007	131.9
[M+Na-2H]-	173.02202	135.0
[M]+	152.04680	132.1
[M]-	152.04790	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe