CID 90883

23127-85-7

Structural Information

Molecular Formula
C12H14O7
SMILES
CCOC(=O)C1(C(=C(C(=O)O1)O)C(=O)C)CC(=O)C
InChI
InChI=1S/C12H14O7/c1-4-18-11(17)12(5-6(2)13)8(7(3)14)9(15)10(16)19-12/h15H,4-5H2,1-3H3
InChIKey
ZWNGEJXPRFXVOE-UHFFFAOYSA-N
Compound name
ethyl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.07394 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.081216 152.4
[M+Na]+ 293.063158 160.5
[M-H]- 269.066664 155.9
[M+NH4]+ 288.107763 170.6
[M+K]+ 309.037098 161.5
[M+H-H2O]+ 253.071200 148.9
[M+HCOO]- 315.072141 172.1
[M+CH3COO]- 329.087791 194.8
[M+Na-2H]- 291.048606 153.3
[M]+ 270.07339142 158.4
[M]- 270.07448858 158.4
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

patents stripe