CID 91825622

4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one

Structural Information

Molecular Formula
C24H40O5
SMILES
CCCCCCC(CCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O)O
InChI
InChI=1S/C24H40O5/c1-2-3-4-11-14-20(25)15-12-9-7-5-6-8-10-13-16-21(26)17-23-18-22(27)19-24(28)29-23/h18-20,25,27H,2-17H2,1H3
InChIKey
GSIGBTWKKXKRKO-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.28757 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.294846 207.1
[M+Na]+ 431.276788 208.7
[M-H]- 407.280294 206.4
[M+NH4]+ 426.321393 215.1
[M+K]+ 447.250728 205.0
[M+H-H2O]+ 391.284830 198.6
[M+HCOO]- 453.285771 222.0
[M+CH3COO]- 467.301421 223.8
[M+Na-2H]- 429.262236 203.5
[M]+ 408.28702142 214.6
[M]- 408.28811858 214.6
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.