CID 10964904

Ethyl 5-formylfuran-3-carboxylate

Structural Information

Molecular Formula
C8H8O4
SMILES
CCOC(=O)C1=COC(=C1)C=O
InChI
InChI=1S/C8H8O4/c1-2-11-8(10)6-3-7(4-9)12-5-6/h3-5H,2H2,1H3
InChIKey
VSFIKMQXNZNJAL-UHFFFAOYSA-N
Compound name
ethyl 5-formylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

168.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.049526 131.0
[M+Na]+ 191.031468 140.0
[M-H]- 167.034974 135.8
[M+NH4]+ 186.076073 152.1
[M+K]+ 207.005408 140.8
[M+H-H2O]+ 151.039510 126.1
[M+HCOO]- 213.040451 156.1
[M+CH3COO]- 227.056101 176.0
[M+Na-2H]- 189.016916 136.8
[M]+ 168.04170142 135.9
[M]- 168.04279858 135.9
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