CID 171120552

Methyl nonadeca-15,17-dienoate

Structural Information

Molecular Formula
C20H36O2
SMILES
C/C=C\C=C/CCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-6H,7-19H2,1-2H3/b4-3-,6-5-
InChIKey
BDWYJHVGEIPXSA-OUPQRBNQSA-N
Compound name
methyl (15Z,17Z)-nonadeca-15,17-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 185.1
[M+Na]+ 331.26077 187.4
[M-H]- 307.26427 183.0
[M+NH4]+ 326.30537 200.2
[M+K]+ 347.23471 183.1
[M+H-H2O]+ 291.26881 178.2
[M+HCOO]- 353.26975 204.4
[M+CH3COO]- 367.28540 209.4
[M+Na-2H]- 329.24622 183.5
[M]+ 308.27100 191.6
[M]- 308.27210 191.6
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.