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

27
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

literature stripe

Patent stripe

patents stripe