CID 91825624

4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one

Structural Information

Molecular Formula
C22H36O5
SMILES
C1=C(C=C(OC1=O)CC(=O)CCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C22H36O5/c23-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)16-21-17-20(25)18-22(26)27-21/h17-18,23,25H,1-16H2
InChIKey
DYSSQVXLNGGFFX-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.2563 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.26358 197.0
[M+Na]+ 403.24552 205.6
[M+NH4]+ 398.29012 200.6
[M+K]+ 419.21946 199.0
[M-H]- 379.24902 196.9
[M+Na-2H]- 401.23097 197.3
[M]+ 380.25575 197.8
[M]- 380.25685 197.8
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.