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]+ 263.12778 162.4
[M+Na]+ 285.10972 170.9
[M-H]- 261.11322 163.3
[M+NH4]+ 280.15432 177.1
[M+K]+ 301.08366 167.5
[M+H-H2O]+ 245.11776 150.2
[M+HCOO]- 307.11870 177.3
[M+CH3COO]- 321.13435 198.7
[M+Na-2H]- 283.09517 162.1
[M]+ 262.11995 160.6
[M]- 262.12105 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.