CID 12813433

Methyl (z,z)-5,8-tetradecadienoate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCC/C=C\C/C=C/CCCC(=O)OC
InChI
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKey
UZFMPMFXZHNDLT-QEFCTBRHSA-N
Compound name
methyl (5E,8Z)-tetradeca-5,8-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.4
[M+Na]+ 261.18250 171.0
[M+NH4]+ 256.22710 168.2
[M+K]+ 277.15644 163.5
[M-H]- 237.18600 160.7
[M+Na-2H]- 259.16795 163.5
[M]+ 238.19273 162.8
[M]- 238.19383 162.8
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

No patent data available for this compound.