CID 35399

Diethyl 3,4-furandicarboxylate

Structural Information

Molecular Formula
C10H12O5
SMILES
CCOC(=O)C1=COC=C1C(=O)OCC
InChI
InChI=1S/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
InChIKey
ZODFWNHYQARJLC-UHFFFAOYSA-N
Compound name
diethyl furan-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

212.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 143.9
[M+Na]+ 235.05769 151.7
[M-H]- 211.06119 148.4
[M+NH4]+ 230.10229 163.1
[M+K]+ 251.03163 153.0
[M+H-H2O]+ 195.06573 138.5
[M+HCOO]- 257.06667 167.5
[M+CH3COO]- 271.08232 184.4
[M+Na-2H]- 233.04314 147.4
[M]+ 212.06792 150.3
[M]- 212.06902 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe