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 203.7
[M+Na]+ 415.28188 206.2
[M-H]- 391.28538 204.3
[M+NH4]+ 410.32648 213.2
[M+K]+ 431.25582 202.1
[M+H-H2O]+ 375.28992 195.1
[M+HCOO]- 437.29086 220.9
[M+CH3COO]- 451.30651 223.3
[M+Na-2H]- 413.26733 201.6
[M]+ 392.29211 212.2
[M]- 392.29321 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.