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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.13835	162.6
[M+Na]+	291.12029	171.2
[M+NH4]+	286.16489	167.8
[M+K]+	307.09423	168.9
[M-H]-	267.12379	162.6
[M+Na-2H]-	289.10574	164.1
[M]+	268.13052	163.4
[M]-	268.13162	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe