CID 137323807

Ethyl 5r,6r-epoxy-7-eicosynoate

Structural Information

Molecular Formula
C22H38O3
SMILES
CCCCCCCCCCCCC#C[C@@H]1[C@H](O1)CCCC(=O)OCC
InChI
InChI=1S/C22H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21-/m1/s1
InChIKey
LZAQRTYTZUGVMN-NHCUHLMSSA-N
Compound name
ethyl 4-[(2R,3R)-3-tetradec-1-ynyloxiran-2-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2821 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 177.0
[M+Na]+ 373.27132 187.9
[M-H]- 349.27482 180.9
[M+NH4]+ 368.31592 185.9
[M+K]+ 389.24526 181.0
[M+H-H2O]+ 333.27936 166.1
[M+HCOO]- 395.28030 192.2
[M+CH3COO]- 409.29595 222.6
[M+Na-2H]- 371.25677 178.2
[M]+ 350.28155 184.1
[M]- 350.28265 184.1
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.