CID 91825626

4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one

Structural Information

Molecular Formula
C21H34O5
SMILES
C1=C(C=C(OC1=O)CC(=O)CCCCCCCCCCCCCCO)O
InChI
InChI=1S/C21H34O5/c22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18(23)15-20-16-19(24)17-21(25)26-20/h16-17,22,24H,1-15H2
InChIKey
OUZOXXPHNGORMA-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.24063 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24791 192.6
[M+Na]+ 389.22985 201.4
[M+NH4]+ 384.27445 196.3
[M+K]+ 405.20379 195.1
[M-H]- 365.23335 192.6
[M+Na-2H]- 387.21530 193.1
[M]+ 366.24008 193.5
[M]- 366.24118 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.