CID 699489

Ethyl 3-(2-furyl)acrylate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+

InChIKey

MWZBTMXISMOMAE-AATRIKPKSA-N

Compound name

ethyl (E)-3-(furan-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 346
Patents: 166.06299 Da
Monoisotopic Mass: 1.9
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]+	167.07027	134.2
[M+Na]+	189.05221	142.0
[M-H]-	165.05571	138.5
[M+NH4]+	184.09681	155.2
[M+K]+	205.02615	142.0
[M+H-H2O]+	149.06025	129.0
[M+HCOO]-	211.06119	158.7
[M+CH3COO]-	225.07684	175.1
[M+Na-2H]-	187.03766	139.9
[M]+	166.06244	137.5
[M]-	166.06354	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe