CID 86583423

4-hydroxy-6-(2-oxoheptadecyl)pyran-2-one

Structural Information

Molecular Formula
C22H36O4
SMILES
CCCCCCCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)16-21-17-20(24)18-22(25)26-21/h17-18,24H,2-16H2,1H3
InChIKey
PWJCIKPTDVJSCJ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(2-oxoheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.26135 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26863 193.6
[M+Na]+ 387.25057 203.3
[M+NH4]+ 382.29517 198.1
[M+K]+ 403.22451 195.8
[M-H]- 363.25407 194.6
[M+Na-2H]- 385.23602 195.0
[M]+ 364.26080 195.0
[M]- 364.26190 195.0
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.