CID 91825619

4-hydroxy-6-(11-methylheptadecyl)-pyran-2-one

Structural Information

Molecular Formula
C23H40O3
SMILES
CCCCCCC(C)CCCCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C23H40O3/c1-3-4-5-12-15-20(2)16-13-10-8-6-7-9-11-14-17-22-18-21(24)19-23(25)26-22/h18-20,24H,3-17H2,1-2H3
InChIKey
WVONRTGTBIMNAN-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(11-methylheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 196.3
[M+Na]+ 387.28698 206.2
[M+NH4]+ 382.33158 201.5
[M+K]+ 403.26092 198.0
[M-H]- 363.29048 198.0
[M+Na-2H]- 385.27243 197.9
[M]+ 364.29721 198.0
[M]- 364.29831 198.0
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.