CID 5362738

Methyl trans,trans-9,15-octadecadienoate

Structural Information

Molecular Formula
C19H34O2
SMILES
CC/C=C/CCCC/C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+
InChIKey
OTROKOXHZSGHEN-PMXBNEBOSA-N
Compound name
methyl (9E,15E)-octadeca-9,15-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2559 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.263176 180.6
[M+Na]+ 317.245118 183.3
[M-H]- 293.248624 178.7
[M+NH4]+ 312.289723 196.3
[M+K]+ 333.219058 179.3
[M+H-H2O]+ 277.253160 173.9
[M+HCOO]- 339.254101 200.3
[M+CH3COO]- 353.269751 206.5
[M+Na-2H]- 315.230566 179.6
[M]+ 294.25535142 186.8
[M]- 294.25644858 186.8
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.