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 134.8
[M+Na]+ 205.04712 144.3
[M-H]- 181.05062 139.9
[M+NH4]+ 200.09172 155.7
[M+K]+ 221.02106 144.9
[M+H-H2O]+ 165.05516 130.1
[M+HCOO]- 227.05610 159.6
[M+CH3COO]- 241.07175 180.2
[M+Na-2H]- 203.03257 139.4
[M]+ 182.05735 140.5
[M]- 182.05845 140.5
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.