CID 56936259

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

Structural Information

Molecular Formula
C20H36O
SMILES
CCCCCCCCCC[C@@H]1[C@@H](O1)C/C=C\C/C=C\CC
InChI
InChI=1S/C20H36O/c1-3-5-7-9-11-12-14-16-18-20-19(21-20)17-15-13-10-8-6-4-2/h6,8,13,15,19-20H,3-5,7,9-12,14,16-18H2,1-2H3/b8-6-,15-13-/t19-,20+/m0/s1
InChIKey
XXOTXZKHNZSWSZ-RYKHLLNTSA-N
Compound name
(2R,3S)-2-decyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

292.2766 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.28388 177.7
[M+Na]+ 315.26582 182.9
[M-H]- 291.26932 181.1
[M+NH4]+ 310.31042 188.0
[M+K]+ 331.23976 178.4
[M+H-H2O]+ 275.27386 169.9
[M+HCOO]- 337.27480 197.1
[M+CH3COO]- 351.29045 209.9
[M+Na-2H]- 313.25127 178.6
[M]+ 292.27605 186.1
[M]- 292.27715 186.1
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

patents stripe