CID 131751105

Dihydrowyerone

Structural Information

Molecular Formula
C15H16O4
SMILES
CCCCC#CC(=O)C1=CC=C(O1)/C=C\C(=O)OC
InChI
InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11H,3-5H2,1-2H3/b11-9-
InChIKey
YFUCCGZVKDFREC-LUAWRHEFSA-N
Compound name
methyl (Z)-3-(5-hept-2-ynoylfuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 158.7
[M+Na]+ 283.09408 168.0
[M+NH4]+ 278.13868 160.7
[M+K]+ 299.06802 161.6
[M-H]- 259.09758 150.9
[M+Na-2H]- 281.07953 157.9
[M]+ 260.10431 156.7
[M]- 260.10541 156.7
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

No patent data available for this compound.