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]+ 237.148526 154.2
[M+Na]+ 259.130468 161.5
[M-H]- 235.133974 156.9
[M+NH4]+ 254.175073 170.4
[M+K]+ 275.104408 158.7
[M+H-H2O]+ 219.138510 147.9
[M+HCOO]- 281.139451 175.7
[M+CH3COO]- 295.155101 190.6
[M+Na-2H]- 257.115916 158.8
[M]+ 236.14070142 158.4
[M]- 236.14179858 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.