CID 91825613

4-hydroxy-6-(11-hydroxyheptadecyl)-pyran-2-one

Structural Information

Molecular Formula
C22H38O4
SMILES
CCCCCCC(CCCCCCCCCCC1=CC(=CC(=O)O1)O)O
InChI
InChI=1S/C22H38O4/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21-17-20(24)18-22(25)26-21/h17-19,23-24H,2-16H2,1H3
InChIKey
FXHJVZHVWWRDAY-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(11-hydroxyheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.277 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.284276 196.5
[M+Na]+ 389.266218 199.1
[M-H]- 365.269724 196.1
[M+NH4]+ 384.310823 206.5
[M+K]+ 405.240158 195.2
[M+H-H2O]+ 349.274260 188.4
[M+HCOO]- 411.275201 212.7
[M+CH3COO]- 425.290851 215.7
[M+Na-2H]- 387.251666 194.9
[M]+ 366.27645142 203.1
[M]- 366.27754858 203.1
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.