CID 131752560

Wyeronic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
C/C=C/C#CC(=O)C1=CC=C(O1)/C=C\C(=O)O
InChI
InChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-
InChIKey
DMVOIMZYBMLJHN-XKURDXHJSA-N
Compound name
(Z)-3-[5-[(E)-hex-4-en-2-ynoyl]furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.0579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 151.5
[M+Na]+ 253.04712 160.7
[M+NH4]+ 248.09172 153.3
[M+K]+ 269.02106 154.9
[M-H]- 229.05062 143.1
[M+Na-2H]- 251.03257 150.5
[M]+ 230.05735 149.2
[M]- 230.05845 149.2
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