CID 91825616

4-hydroxy-6-(14-hydroxytetradecyl)-pyran-2-one

Structural Information

Molecular Formula
C19H32O4
SMILES
C1=C(C=C(OC1=O)CCCCCCCCCCCCCCO)O
InChI
InChI=1S/C19H32O4/c20-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-15-17(21)16-19(22)23-18/h15-16,20-21H,1-14H2
InChIKey
XQYXHPDYWOHVHV-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(14-hydroxytetradecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.23007 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.23735 182.1
[M+Na]+ 347.21929 186.2
[M-H]- 323.22279 182.2
[M+NH4]+ 342.26389 193.9
[M+K]+ 363.19323 182.6
[M+H-H2O]+ 307.22733 174.5
[M+HCOO]- 369.22827 200.3
[M+CH3COO]- 383.24392 205.9
[M+Na-2H]- 345.20474 183.4
[M]+ 324.22952 188.3
[M]- 324.23062 188.3
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.