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

63
Patents

238.19328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.4
[M+Na]+ 261.182498 166.9
[M-H]- 237.186004 161.4
[M+NH4]+ 256.227103 180.4
[M+K]+ 277.156438 163.9
[M+H-H2O]+ 221.190540 156.6
[M+HCOO]- 283.191481 183.5
[M+CH3COO]- 297.207131 194.5
[M+Na-2H]- 259.167946 163.6
[M]+ 238.19273142 167.1
[M]- 238.19382858 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