CID 91825627

4-hydroxy-6-(3-methyl-2-oxoheptadecyl)pyran-2-one

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCCCCCCCCCCCC(C)C(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2)22(25)18-21-16-20(24)17-23(26)27-21/h16-17,19,24H,3-15,18H2,1-2H3
InChIKey
WBZAEPOSDJKROT-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(3-methyl-2-oxoheptadecyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.277 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 197.9
[M+Na]+ 401.26622 207.0
[M+NH4]+ 396.31082 202.1
[M+K]+ 417.24016 200.2
[M-H]- 377.26972 198.7
[M+Na-2H]- 399.25167 198.7
[M]+ 378.27645 199.2
[M]- 378.27755 199.2
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.