CID 11748436

13058-52-1

Structural Information

Molecular Formula
C19H34O2
SMILES
CCCCCC/C=C/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/h8-11H,3-7,12-18H2,1-2H3/b9-8+,11-10-
InChIKey
KVIWYYOMPLJRMC-OCBXPSTGSA-N
Compound name
methyl (9Z,11E)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

294.2559 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 180.6
[M+Na]+ 317.24512 183.3
[M-H]- 293.24862 178.7
[M+NH4]+ 312.28972 196.3
[M+K]+ 333.21906 179.3
[M+H-H2O]+ 277.25316 173.9
[M+HCOO]- 339.25410 200.3
[M+CH3COO]- 353.26975 206.5
[M+Na-2H]- 315.23057 179.6
[M]+ 294.25535 186.8
[M]- 294.25645 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.