CID 91825615

4-hydroxy-6-(non-8-en-1-yl)-pyran-2-one

Structural Information

Molecular Formula
C14H20O3
SMILES
C=CCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-7-8-9-13-10-12(15)11-14(16)17-13/h2,10-11,15H,1,3-9H2
InChIKey
XLSXODSZWDBYLP-UHFFFAOYSA-N
Compound name
4-hydroxy-6-non-8-enylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 154.7
[M+Na]+ 259.13047 166.9
[M+NH4]+ 254.17507 161.4
[M+K]+ 275.10441 160.0
[M-H]- 235.13397 156.8
[M+Na-2H]- 257.11592 159.1
[M]+ 236.14070 156.9
[M]- 236.14180 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.