CID 10857903

9z,11e,13-tetradecatrienyl acetate

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(=O)OCCCCCCCC/C=C\C=C\C=C
InChI
InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-7H,1,8-15H2,2H3/b5-4+,7-6-
InChIKey
WPJGJVIVVQDMIG-DEQVHDEQSA-N
Compound name
[(9Z,11E)-tetradeca-9,11,13-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.19328 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 165.2
[M+Na]+ 273.18250 169.5
[M-H]- 249.18600 164.0
[M+NH4]+ 268.22710 182.6
[M+K]+ 289.15644 165.6
[M+H-H2O]+ 233.19054 159.2
[M+HCOO]- 295.19148 186.1
[M+CH3COO]- 309.20713 196.6
[M+Na-2H]- 271.16795 165.9
[M]+ 250.19273 169.6
[M]- 250.19383 169.6
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