CID 131751106

Methyl (z)-3-[5-[3-(3-ethyloxiran-2-yl)prop-2-ynoyl]furan-2-yl]prop-2-enoate

Structural Information

Molecular Formula
C15H14O5
SMILES
CCC1C(O1)C#CC(=O)C2=CC=C(O2)/C=C\C(=O)OC
InChI
InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5-
InChIKey
FRIBCHAVILXSND-UITAMQMPSA-N
Compound name
methyl (Z)-3-[5-[3-(3-ethyloxiran-2-yl)prop-2-ynoyl]furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 155.1
[M+Na]+ 297.07336 170.8
[M-H]- 273.07686 163.4
[M+NH4]+ 292.11796 166.4
[M+K]+ 313.04730 165.1
[M+H-H2O]+ 257.08140 145.3
[M+HCOO]- 319.08234 172.5
[M+CH3COO]- 333.09799 204.6
[M+Na-2H]- 295.05881 158.1
[M]+ 274.08359 159.6
[M]- 274.08469 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.