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]+ 367.28428 196.5
[M+Na]+ 389.26622 199.1
[M-H]- 365.26972 196.1
[M+NH4]+ 384.31082 206.5
[M+K]+ 405.24016 195.2
[M+H-H2O]+ 349.27426 188.4
[M+HCOO]- 411.27520 212.7
[M+CH3COO]- 425.29085 215.7
[M+Na-2H]- 387.25167 194.9
[M]+ 366.27645 203.1
[M]- 366.27755 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.