CID 86583446

4-hydroxy-5-methyl-6-heptadecylpyran-2-one

Structural Information

Molecular Formula
C23H40O3
SMILES
CCCCCCCCCCCCCCCCCC1=C(C(=CC(=O)O1)O)C
InChI
InChI=1S/C23H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(2)21(24)19-23(25)26-22/h19,24H,3-18H2,1-2H3
InChIKey
OQUNSAJGPYUYHA-UHFFFAOYSA-N
Compound name
6-heptadecyl-4-hydroxy-5-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 195.8
[M+Na]+ 387.28698 206.5
[M+NH4]+ 382.33158 201.2
[M+K]+ 403.26092 197.7
[M-H]- 363.29048 197.9
[M+Na-2H]- 385.27243 197.6
[M]+ 364.29721 197.8
[M]- 364.29831 197.8
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.