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]+ 339.252976 186.6
[M+Na]+ 361.234918 190.3
[M-H]- 337.238424 186.5
[M+NH4]+ 356.279523 197.8
[M+K]+ 377.208858 186.4
[M+H-H2O]+ 321.242960 178.8
[M+HCOO]- 383.243901 204.5
[M+CH3COO]- 397.259551 208.9
[M+Na-2H]- 359.220366 187.4
[M]+ 338.24515142 193.2
[M]- 338.24624858 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.