CID 91825630

4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one

Structural Information

Molecular Formula
C20H32O4
SMILES
CC(C)CCCCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C20H32O4/c1-16(2)11-9-7-5-3-4-6-8-10-12-17(21)13-19-14-18(22)15-20(23)24-19/h14-16,22H,3-13H2,1-2H3
InChIKey
PUYXSOZDOLDUCC-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 184.6
[M+Na]+ 359.21929 194.4
[M+NH4]+ 354.26389 189.4
[M+K]+ 375.19323 188.2
[M-H]- 335.22279 185.5
[M+Na-2H]- 357.20474 186.2
[M]+ 336.22952 186.0
[M]- 336.23062 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.