CID 91825614

4-hydroxy-6-(15-hydroxypentadecyl)-pyran-2-one

Structural Information

Molecular Formula
C20H34O4
SMILES
C1=C(C=C(OC1=O)CCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C20H34O4/c21-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-16-18(22)17-20(23)24-19/h16-17,21-22H,1-15H2
InChIKey
UWPPNOFBMOEQQX-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(15-hydroxypentadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2457 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 186.2
[M+Na]+ 361.23492 196.1
[M+NH4]+ 356.27952 191.1
[M+K]+ 377.20886 188.6
[M-H]- 337.23842 187.2
[M+Na-2H]- 359.22037 187.9
[M]+ 338.24515 187.7
[M]- 338.24625 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.