CID 56936249

9s,10r-epoxy-3z,6z-octadecadiene

Structural Information

Molecular Formula
C17H30O
SMILES
CCCCCCCC[C@@H]1[C@@H](O1)C/C=C\C/C=C\C
InChI
InChI=1S/C17H30O/c1-3-5-7-9-11-13-15-17-16(18-17)14-12-10-8-6-4-2/h4,6,10,12,16-17H,3,5,7-9,11,13-15H2,1-2H3/b6-4-,12-10-/t16-,17+/m0/s1
InChIKey
CNYHVWZOWVYRKM-YNOGVTSOSA-N
Compound name
(2S,3R)-2-[(2Z,5Z)-hepta-2,5-dienyl]-3-octyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.22966 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 165.1
[M+Na]+ 273.218878 171.6
[M-H]- 249.222384 169.2
[M+NH4]+ 268.263483 177.1
[M+K]+ 289.192818 167.9
[M+H-H2O]+ 233.226920 157.9
[M+HCOO]- 295.227861 185.5
[M+CH3COO]- 309.243511 201.3
[M+Na-2H]- 271.204326 167.6
[M]+ 250.22911142 172.5
[M]- 250.23020858 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.