CID 56936268

9,10-epoxy-3z,6z-tricosadiene

Structural Information

Molecular Formula
C23H42O
SMILES
CCCCCCCCCCCCCC1C(O1)C/C=C\C/C=C\CC
InChI
InChI=1S/C23H42O/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-22(24-23)20-18-16-10-8-6-4-2/h6,8,16,18,22-23H,3-5,7,9-15,17,19-21H2,1-2H3/b8-6-,18-16-
InChIKey
HSYIVZAVFQUNJD-SVZCXTQRSA-N
Compound name
2-[(2Z,5Z)-octa-2,5-dienyl]-3-tridecyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.32358 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.33086 190.0
[M+Na]+ 357.31280 194.1
[M-H]- 333.31630 192.9
[M+NH4]+ 352.35740 198.7
[M+K]+ 373.28674 188.8
[M+H-H2O]+ 317.32084 181.7
[M+HCOO]- 379.32178 208.5
[M+CH3COO]- 393.33743 218.4
[M+Na-2H]- 355.29825 189.5
[M]+ 334.32303 199.5
[M]- 334.32413 199.5
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.