CID 137323815

Methyl 8r,9r-epoxy-13z,15z-eicosadien-4,6-diynoate

Structural Information

Molecular Formula
C19H24O3
SMILES
CC/C=C\C=C/CCC[C@@H]1[C@H](O1)C#CC#CCCC(=O)OC
InChI
InChI=1S/C19H24O3/c1-3-4-5-6-7-8-11-14-17-18(22-17)15-12-9-10-13-16-19(20)21-2/h4-7,17-18H,3,8,11,13-14,16H2,1-2H3/b5-4-,7-6-/t17-,18-/m1/s1
InChIKey
MDODIGWAXXDWHR-BOVLPNEZSA-N
Compound name
methyl 7-[(2R,3R)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.17255 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 163.4
[M+Na]+ 323.16177 179.5
[M-H]- 299.16527 169.2
[M+NH4]+ 318.20637 172.8
[M+K]+ 339.13571 170.4
[M+H-H2O]+ 283.16981 152.8
[M+HCOO]- 345.17075 174.1
[M+CH3COO]- 359.18640 223.4
[M+Na-2H]- 321.14722 165.5
[M]+ 300.17200 163.6
[M]- 300.17310 163.6
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.