CID 131752662

Dihydrowyerol

Structural Information

Molecular Formula
C15H18O4
SMILES
CCCCC#CC(C1=CC=C(O1)/C=C\C(=O)OC)O
InChI
InChI=1S/C15H18O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11,13,16H,3-5H2,1-2H3/b11-9-
InChIKey
LQJHQXFOPADMRA-LUAWRHEFSA-N
Compound name
methyl (Z)-3-[5-(1-hydroxyhept-2-ynyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 162.4
[M+Na]+ 285.109718 170.9
[M-H]- 261.113224 163.3
[M+NH4]+ 280.154323 177.1
[M+K]+ 301.083658 167.5
[M+H-H2O]+ 245.117760 150.2
[M+HCOO]- 307.118701 177.3
[M+CH3COO]- 321.134351 198.7
[M+Na-2H]- 283.095166 162.1
[M]+ 262.11995142 160.6
[M]- 262.12104858 160.6
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.