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

73
Patents

168.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 131.0
[M+Na]+ 191.03147 140.0
[M-H]- 167.03497 135.8
[M+NH4]+ 186.07607 152.1
[M+K]+ 207.00541 140.8
[M+H-H2O]+ 151.03951 126.1
[M+HCOO]- 213.04045 156.1
[M+CH3COO]- 227.05610 176.0
[M+Na-2H]- 189.01692 136.8
[M]+ 168.04170 135.9
[M]- 168.04280 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