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 186.6
[M+Na]+ 361.23492 190.3
[M-H]- 337.23842 186.5
[M+NH4]+ 356.27952 197.8
[M+K]+ 377.20886 186.4
[M+H-H2O]+ 321.24296 178.8
[M+HCOO]- 383.24390 204.5
[M+CH3COO]- 397.25955 208.9
[M+Na-2H]- 359.22037 187.4
[M]+ 338.24515 193.2
[M]- 338.24625 193.2
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.