CID 131752561

Wyerol

Structural Information

Molecular Formula
C15H16O4
SMILES
CC/C=C\C#CC(C1=CC=C(O1)/C=C\C(=O)OC)O
InChI
InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9-
InChIKey
RIOSBTRTZGOASU-JXWPTCDWSA-N
Compound name
methyl (Z)-3-[5-[(Z)-1-hydroxyhept-4-en-2-ynyl]furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 159.7
[M+Na]+ 283.09408 168.6
[M+NH4]+ 278.13868 161.4
[M+K]+ 299.06802 162.4
[M-H]- 259.09758 151.5
[M+Na-2H]- 281.07953 158.4
[M]+ 260.10431 157.4
[M]- 260.10541 157.4
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.