CID 5355414

Methyl furfuracrylate

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

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

InChI

InChI=1S/C8H8O3/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4+

InChIKey

PLNJUBIUGVATKW-SNAWJCMRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 88
Patents: 152.04735 Da
Monoisotopic Mass: 1.5
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]+	153.054626	129.4
[M+Na]+	175.036568	137.6
[M-H]-	151.040074	133.8
[M+NH4]+	170.081173	151.0
[M+K]+	191.010508	137.9
[M+H-H2O]+	135.044610	124.4
[M+HCOO]-	197.045551	154.2
[M+CH3COO]-	211.061201	172.1
[M+Na-2H]-	173.022016	135.6
[M]+	152.04680142	132.4
[M]-	152.04789858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe