CID 112756388

Methyl 2-ethyl-5-formylfuran-3-carboxylate

Structural Information

Molecular Formula
C9H10O4
SMILES
CCC1=C(C=C(O1)C=O)C(=O)OC
InChI
InChI=1S/C9H10O4/c1-3-8-7(9(11)12-2)4-6(5-10)13-8/h4-5H,3H2,1-2H3
InChIKey
NTXFVWCFCFFESZ-UHFFFAOYSA-N
Compound name
methyl 2-ethyl-5-formylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 136.7
[M+Na]+ 205.04712 147.7
[M+NH4]+ 200.09172 143.6
[M+K]+ 221.02106 145.3
[M-H]- 181.05062 137.8
[M+Na-2H]- 203.03257 140.2
[M]+ 182.05735 138.3
[M]- 182.05845 138.3
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.