CID 15003230

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

Structural Information

Molecular Formula
C21H36O3
SMILES
CCCCCCCCCCCCC#C[C@@H]1[C@H](O1)CCCC(=O)OC
InChI
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h19-20H,3-13,15,17-18H2,1-2H3/t19-,20-/m1/s1
InChIKey
GFJBVECADOXVQF-WOJBJXKFSA-N
Compound name
methyl 4-[(2R,3R)-3-tetradec-1-ynyloxiran-2-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.26645 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.27373 173.4
[M+Na]+ 359.25567 184.7
[M-H]- 335.25917 177.5
[M+NH4]+ 354.30027 182.8
[M+K]+ 375.22961 178.0
[M+H-H2O]+ 319.26371 162.6
[M+HCOO]- 381.26465 188.9
[M+CH3COO]- 395.28030 220.1
[M+Na-2H]- 357.24112 175.1
[M]+ 336.26590 180.2
[M]- 336.26700 180.2
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.