CID 5283021

Methyl 15,16-epoxy-9,12-octadecadienoate

Structural Information

Molecular Formula
C19H32O3
SMILES
CCC1C(O1)C/C=C/C/C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H32O3/c1-3-17-18(22-17)15-13-11-9-7-5-4-6-8-10-12-14-16-19(20)21-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
InChIKey
WXOURJJDULGFAF-KNVWVLGRSA-N
Compound name
methyl (9E,12E)-14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 180.0
[M+Na]+ 331.22436 185.7
[M-H]- 307.22786 183.7
[M+NH4]+ 326.26896 189.5
[M+K]+ 347.19830 181.8
[M+H-H2O]+ 291.23240 172.3
[M+HCOO]- 353.23334 199.2
[M+CH3COO]- 367.24899 210.0
[M+Na-2H]- 329.20981 180.2
[M]+ 308.23459 189.6
[M]- 308.23569 189.6
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.