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
4
Annotation Hits

0
References

81
Patents

152.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05463 130.5
[M+Na]+ 175.03657 141.4
[M+NH4]+ 170.08117 138.1
[M+K]+ 191.01051 138.3
[M-H]- 151.04007 132.1
[M+Na-2H]- 173.02202 135.2
[M]+ 152.04680 132.3
[M]- 152.04790 132.3
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