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

123
Patents

268.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.138346 163.1
[M+Na]+ 291.120288 169.2
[M-H]- 267.123794 166.9
[M+NH4]+ 286.164893 180.1
[M+K]+ 307.094228 169.5
[M+H-H2O]+ 251.128330 156.9
[M+HCOO]- 313.129271 185.3
[M+CH3COO]- 327.144921 196.3
[M+Na-2H]- 289.105736 164.4
[M]+ 268.13052142 170.9
[M]- 268.13161858 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