CID 86187765

4-hydroxy-3-(16-methylheptadecyl)-2h-pyran-2-one

Structural Information

Molecular Formula
C23H40O3
SMILES
CC(C)CCCCCCCCCCCCCCCC1=C(C=COC1=O)O
InChI
InChI=1S/C23H40O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-22(24)18-19-26-23(21)25/h18-20,24H,3-17H2,1-2H3
InChIKey
XEKYYIHOWASTHE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(16-methylheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 196.3
[M+Na]+ 387.28698 206.2
[M+NH4]+ 382.33158 201.5
[M+K]+ 403.26092 198.0
[M-H]- 363.29048 198.0
[M+Na-2H]- 385.27243 197.9
[M]+ 364.29721 198.0
[M]- 364.29831 198.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.