CID 296308

Dibutyl 3,4-furandicarboxylate

Structural Information

Molecular Formula
C14H20O5
SMILES
CCCCOC(=O)C1=COC=C1C(=O)OCCCC
InChI
InChI=1S/C14H20O5/c1-3-5-7-18-13(15)11-9-17-10-12(11)14(16)19-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKey
MBEAJCADYVDFCS-UHFFFAOYSA-N
Compound name
dibutyl furan-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

268.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13835 163.1
[M+Na]+ 291.12029 169.2
[M-H]- 267.12379 166.9
[M+NH4]+ 286.16489 180.1
[M+K]+ 307.09423 169.5
[M+H-H2O]+ 251.12833 156.9
[M+HCOO]- 313.12927 185.3
[M+CH3COO]- 327.14492 196.3
[M+Na-2H]- 289.10574 164.4
[M]+ 268.13052 170.9
[M]- 268.13162 170.9
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