CID 44256536

5e,9z-tridecadienyl acetate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC/C=C\CC/C=C/CCCCOC(=O)C
InChI
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/b6-5-,10-9+
InChIKey
FPIQRKOQQGYNLX-MLCWLASSSA-N
Compound name
[(5E,9Z)-trideca-5,9-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

238.19328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.4
[M+Na]+ 261.18250 166.9
[M-H]- 237.18600 161.4
[M+NH4]+ 256.22710 180.4
[M+K]+ 277.15644 163.9
[M+H-H2O]+ 221.19054 156.6
[M+HCOO]- 283.19148 183.5
[M+CH3COO]- 297.20713 194.5
[M+Na-2H]- 259.16795 163.6
[M]+ 238.19273 167.1
[M]- 238.19383 167.1
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