CID 86583424

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

Structural Information

Molecular Formula
C24H40O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)18-23-19-22(26)20-24(27)28-23/h19-20,26H,2-18H2,1H3
InChIKey
GBAFNXLIBBSENQ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(2-oxononadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.29266 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29994 202.5
[M+Na]+ 415.28188 211.7
[M+NH4]+ 410.32648 206.7
[M+K]+ 431.25582 203.8
[M-H]- 391.28538 203.4
[M+Na-2H]- 413.26733 203.3
[M]+ 392.29211 203.8
[M]- 392.29321 203.8
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.