CID 9992319

163041-94-9

Structural Information

Molecular Formula
C16H26O2
SMILES
CC/C=C\C/C=C\CCC/C=C/CCOC(=O)C
InChI
InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4-,8-7-,13-12+
InChIKey
HWPJPNQEVWTZSJ-XBZOLNABSA-N
Compound name
[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

782
Patents

250.19328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 165.4
[M+Na]+ 273.18250 169.8
[M-H]- 249.18600 164.2
[M+NH4]+ 268.22710 182.9
[M+K]+ 289.15644 166.0
[M+H-H2O]+ 233.19054 159.5
[M+HCOO]- 295.19148 186.3
[M+CH3COO]- 309.20713 195.9
[M+Na-2H]- 271.16795 166.1
[M]+ 250.19273 169.7
[M]- 250.19383 169.7
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