CID 14827985

Panaquinquecol 2

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCCCCCC1C(O1)C(C#CC#CC(C=C)O)O
InChI
InChI=1S/C17H24O3/c1-3-5-6-7-8-13-16-17(20-16)15(19)12-10-9-11-14(18)4-2/h4,14-19H,2-3,5-8,13H2,1H3
InChIKey
UJQVRPFUQYYCTH-UHFFFAOYSA-N
Compound name
1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 176.0
[M+Na]+ 299.16177 183.0
[M+NH4]+ 294.20637 175.5
[M+K]+ 315.13571 175.2
[M-H]- 275.16527 168.8
[M+Na-2H]- 297.14722 173.4
[M]+ 276.17200 174.3
[M]- 276.17310 174.3
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.