CID 3023480

3-(2-furyl)propyl acrylate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

C=CC(=O)OCCCC1=CC=CO1

InChI

InChI=1S/C10H12O3/c1-2-10(11)13-8-4-6-9-5-3-7-12-9/h2-3,5,7H,1,4,6,8H2

InChIKey

XEIFSOMSFBBKNY-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)propyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.07864 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]+	181.085916	138.8
[M+Na]+	203.067858	146.1
[M-H]-	179.071364	142.8
[M+NH4]+	198.112463	159.1
[M+K]+	219.041798	145.8
[M+H-H2O]+	163.075900	133.3
[M+HCOO]-	225.076841	162.9
[M+CH3COO]-	239.092491	178.8
[M+Na-2H]-	201.053306	143.9
[M]+	180.07809142	142.6
[M]-	180.07918858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe