CID 82699

Furfuryl acrylate

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C=CC(=O)OCC1=CC=CO1

InChI

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

InChIKey

BHPLCUDMENJIRS-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1976
Patents: 152.04735 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]+	153.05463	129.2
[M+Na]+	175.03657	137.3
[M-H]-	151.04007	133.6
[M+NH4]+	170.08117	150.7
[M+K]+	191.01051	137.6
[M+H-H2O]+	135.04461	124.1
[M+HCOO]-	197.04555	154.0
[M+CH3COO]-	211.06120	172.8
[M+Na-2H]-	173.02202	135.4
[M]+	152.04680	132.2
[M]-	152.04790	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe