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]+ 393.299936 203.7
[M+Na]+ 415.281878 206.2
[M-H]- 391.285384 204.3
[M+NH4]+ 410.326483 213.2
[M+K]+ 431.255818 202.1
[M+H-H2O]+ 375.289920 195.1
[M+HCOO]- 437.290861 220.9
[M+CH3COO]- 451.306511 223.3
[M+Na-2H]- 413.267326 201.6
[M]+ 392.29211142 212.2
[M]- 392.29320858 212.2
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.