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]+ 279.159076 165.3
[M+Na]+ 301.141018 171.7
[M-H]- 277.144524 167.7
[M+NH4]+ 296.185623 179.6
[M+K]+ 317.114958 168.9
[M+H-H2O]+ 261.149060 158.6
[M+HCOO]- 323.150001 185.6
[M+CH3COO]- 337.165651 198.8
[M+Na-2H]- 299.126466 167.7
[M]+ 278.15125142 170.4
[M]- 278.15234858 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.