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
4
Annotation Hits

2
References

342
Patents

166.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 135.0
[M+Na]+ 189.05221 145.7
[M+NH4]+ 184.09681 142.5
[M+K]+ 205.02615 142.4
[M-H]- 165.05571 136.5
[M+Na-2H]- 187.03766 139.4
[M]+ 166.06244 136.7
[M]- 166.06354 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe