CID 91825625

4-hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one

Structural Information

Molecular Formula
C16H22O4
SMILES
C=CCCCCCCCC(=O)CC1=CC(=CC(=O)O1)O
InChI
InChI=1S/C16H22O4/c1-2-3-4-5-6-7-8-9-13(17)10-15-11-14(18)12-16(19)20-15/h2,11-12,18H,1,3-10H2
InChIKey
YMYRTIQKNKALOE-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(2-oxoundec-10-enyl)pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1518 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 165.3
[M+Na]+ 301.14102 171.7
[M-H]- 277.14452 167.7
[M+NH4]+ 296.18562 179.6
[M+K]+ 317.11496 168.9
[M+H-H2O]+ 261.14906 158.6
[M+HCOO]- 323.15000 185.6
[M+CH3COO]- 337.16565 198.8
[M+Na-2H]- 299.12647 167.7
[M]+ 278.15125 170.4
[M]- 278.15235 170.4
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.