CID 11359644

11z,19-eicosadienyl acetate

Structural Information

Molecular Formula
C22H40O2
SMILES
CC(=O)OCCCCCCCCCC/C=C\CCCCCCC=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/h3,10-11H,1,4-9,12-21H2,2H3/b11-10-
InChIKey
KSEXUZDYADHVFH-KHPPLWFESA-N
Compound name
[(11Z)-icosa-11,19-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

336.30283 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.31011 193.7
[M+Na]+ 359.29205 195.1
[M-H]- 335.29555 191.2
[M+NH4]+ 354.33665 207.6
[M+K]+ 375.26599 190.3
[M+H-H2O]+ 319.30009 186.4
[M+HCOO]- 381.30103 212.3
[M+CH3COO]- 395.31668 216.1
[M+Na-2H]- 357.27750 191.1
[M]+ 336.30228 201.1
[M]- 336.30338 201.1
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

patents stripe