CID 101821183

Wyerone epoxide

Structural Information

Molecular Formula
C15H14O5
SMILES
CC[C@H]1[C@H](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+/t12-,14+/m0/s1
InChIKey
FRIBCHAVILXSND-OKSBWBPSSA-N
Compound name
methyl (E)-3-[5-[3-[(2R,3S)-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]+ 275.091416 155.1
[M+Na]+ 297.073358 170.8
[M-H]- 273.076864 163.4
[M+NH4]+ 292.117963 166.4
[M+K]+ 313.047298 165.1
[M+H-H2O]+ 257.081400 145.3
[M+HCOO]- 319.082341 172.5
[M+CH3COO]- 333.097991 204.6
[M+Na-2H]- 295.058806 158.1
[M]+ 274.08359142 159.6
[M]- 274.08468858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.