CID 15024650

4e,6e,11z-hexadecatrienyl acetate

Structural Information

Molecular Formula
C18H30O2
SMILES
CCCC/C=C\CCC/C=C/C=C/CCCOC(=O)C
InChI
InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,11-14H,3-5,8-10,15-17H2,1-2H3/b7-6-,12-11+,14-13+
InChIKey
OBUFHUJYTJTQRE-NJBFDSBMSA-N
Compound name
[(4E,6E,11Z)-hexadeca-4,6,11-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

278.22458 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 174.5
[M+Na]+ 301.21380 178.0
[M-H]- 277.21730 172.9
[M+NH4]+ 296.25840 190.8
[M+K]+ 317.18774 173.7
[M+H-H2O]+ 261.22184 168.1
[M+HCOO]- 323.22278 194.7
[M+CH3COO]- 337.23843 201.9
[M+Na-2H]- 299.19925 174.1
[M]+ 278.22403 179.5
[M]- 278.22513 179.5
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