CID 61168

623-22-3

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCCOC(=O)C=CC1=CC=CO1

InChI

InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3

InChIKey

RRFBKGHLBNBFGL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 105
Patents: 180.07864 Da
Monoisotopic Mass: 2.2
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]+	181.08592	139.0
[M+Na]+	203.06786	146.4
[M-H]-	179.07136	143.1
[M+NH4]+	198.11246	159.5
[M+K]+	219.04180	146.1
[M+H-H2O]+	163.07590	133.6
[M+HCOO]-	225.07684	163.1
[M+CH3COO]-	239.09249	178.2
[M+Na-2H]-	201.05331	144.1
[M]+	180.07809	142.7
[M]-	180.07919	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe