CID 14216071

10e,12e,14e-hexadecatrienyl acetate

Structural Information

Molecular Formula
C18H30O2
SMILES
C/C=C/C=C/C=C/CCCCCCCCCOC(=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/h3-8H,9-17H2,1-2H3/b4-3+,6-5+,8-7+
InChIKey
RHQLQUKJKWSMFG-ARQDATDDSA-N
Compound name
[(10E,12E,14E)-hexadeca-10,12,14-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

278.22458 Da
Monoisotopic Mass

6.2
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

No literature data available for this compound.

Patent stripe

patents stripe