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 154.2
[M+Na]+ 259.13047 161.5
[M-H]- 235.13397 156.9
[M+NH4]+ 254.17507 170.4
[M+K]+ 275.10441 158.7
[M+H-H2O]+ 219.13851 147.9
[M+HCOO]- 281.13945 175.7
[M+CH3COO]- 295.15510 190.6
[M+Na-2H]- 257.11592 158.8
[M]+ 236.14070 158.4
[M]- 236.14180 158.4
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.