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 160.6
[M+Na]+ 283.09408 169.8
[M-H]- 259.09758 162.8
[M+NH4]+ 278.13868 176.0
[M+K]+ 299.06802 166.5
[M+H-H2O]+ 243.10212 148.3
[M+HCOO]- 305.10306 177.0
[M+CH3COO]- 319.11871 200.3
[M+Na-2H]- 281.07953 160.7
[M]+ 260.10431 159.8
[M]- 260.10541 159.8
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.