CID 5283019

Methyl 9,10-epoxy-12,15-octadecadienoate

Structural Information

Molecular Formula
C19H32O3
SMILES
CC/C=C/C/C=C/CC1C(O1)CCCCCCCC(=O)OC
InChI
InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,17-18H,3,6-7,9-10,12-16H2,1-2H3/b5-4+,11-8+
InChIKey
WJRQEOOGBUSIOJ-OCJIRGAFSA-N
Compound name
methyl 8-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.242416 180.0
[M+Na]+ 331.224358 185.7
[M-H]- 307.227864 183.7
[M+NH4]+ 326.268963 189.5
[M+K]+ 347.198298 181.8
[M+H-H2O]+ 291.232400 172.3
[M+HCOO]- 353.233341 199.2
[M+CH3COO]- 367.248991 210.0
[M+Na-2H]- 329.209806 180.2
[M]+ 308.23459142 189.6
[M]- 308.23568858 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.