CID 44256559

11z,14z-eicosadienyl acetate

Structural Information

Molecular Formula
C22H40O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCOC(=O)C
InChI
InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h7-8,10-11H,3-6,9,12-21H2,1-2H3/b8-7-,11-10-
InChIKey
WKLIJUKMLFLSDC-NQLNTKRDSA-N
Compound name
[(11Z,14Z)-icosa-11,14-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.30283 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.31011 194.0
[M+Na]+ 359.29205 195.5
[M-H]- 335.29555 191.5
[M+NH4]+ 354.33665 207.9
[M+K]+ 375.26599 190.6
[M+H-H2O]+ 319.30009 186.7
[M+HCOO]- 381.30103 212.6
[M+CH3COO]- 395.31668 215.4
[M+Na-2H]- 357.27750 191.3
[M]+ 336.30228 201.3
[M]- 336.30338 201.3
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