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 162.7
[M+Na]+ 283.09408 171.5
[M-H]- 259.09758 163.7
[M+NH4]+ 278.13868 177.5
[M+K]+ 299.06802 167.5
[M+H-H2O]+ 243.10212 150.6
[M+HCOO]- 305.10306 177.7
[M+CH3COO]- 319.11871 197.4
[M+Na-2H]- 281.07953 162.3
[M]+ 260.10431 160.1
[M]- 260.10541 160.1
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.