CID 91825620

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

Structural Information

Molecular Formula
C18H30O3
SMILES
CC(C)CCCCCCCCCCC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C18H30O3/c1-15(2)11-9-7-5-3-4-6-8-10-12-17-13-16(19)14-18(20)21-17/h13-15,19H,3-12H2,1-2H3
InChIKey
ZQTOEYIVWCCNSY-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(11-methyldodecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21948 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 173.8
[M+Na]+ 317.20870 184.8
[M+NH4]+ 312.25330 179.9
[M+K]+ 333.18264 177.8
[M-H]- 293.21220 175.8
[M+Na-2H]- 315.19415 176.8
[M]+ 294.21893 175.8
[M]- 294.22003 175.8
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.