CID 597465

Diethyl 2,5-furandicarboxylate

Structural Information

Molecular Formula
C10H12O5
SMILES
CCOC(=O)C1=CC=C(O1)C(=O)OCC
InChI
InChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKey
PHGMGTWRSNXLDV-UHFFFAOYSA-N
Compound name
diethyl furan-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

672
Patents

212.06847 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 143.9
[M+Na]+ 235.057688 151.7
[M-H]- 211.061194 148.4
[M+NH4]+ 230.102293 163.1
[M+K]+ 251.031628 153.0
[M+H-H2O]+ 195.065730 138.5
[M+HCOO]- 257.066671 167.5
[M+CH3COO]- 271.082321 184.4
[M+Na-2H]- 233.043136 147.4
[M]+ 212.06792142 150.3
[M]- 212.06901858 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