CID 44256554

11z,13e,15-hexadecatrienyl acetate

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(=O)OCCCCCCCCCC/C=C\C=C\C=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/h3-7H,1,8-17H2,2H3/b5-4+,7-6-
InChIKey
LSRIOUSPMIDHBL-DEQVHDEQSA-N
Compound name
[(11Z,13E)-hexadeca-11,13,15-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.22458 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 174.2
[M+Na]+ 301.21380 177.7
[M-H]- 277.21730 172.6
[M+NH4]+ 296.25840 190.5
[M+K]+ 317.18774 173.3
[M+H-H2O]+ 261.22184 167.9
[M+HCOO]- 323.22278 194.5
[M+CH3COO]- 337.23843 202.6
[M+Na-2H]- 299.19925 173.8
[M]+ 278.22403 179.4
[M]- 278.22513 179.4
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