CID 10013857

Elenolide

Structural Information

Molecular Formula
C11H12O5
SMILES
C/C=C(\C=O)/C1CC(=O)OC=C1C(=O)OC
InChI
InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3+
InChIKey
TXTINTVPMBCGKO-XVNBXDOJSA-N
Compound name
methyl 2-oxo-4-[(Z)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

224.06847 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.075746 144.9
[M+Na]+ 247.057688 152.0
[M-H]- 223.061194 149.2
[M+NH4]+ 242.102293 161.9
[M+K]+ 263.031628 152.2
[M+H-H2O]+ 207.065730 139.2
[M+HCOO]- 269.066671 165.1
[M+CH3COO]- 283.082321 187.8
[M+Na-2H]- 245.043136 147.7
[M]+ 224.06792142 147.3
[M]- 224.06901858 147.3
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.