CID 69202

Furfuryl 2-furoate

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

C1=COC(=C1)COC(=O)C2=CC=CO2

InChI

InChI=1S/C10H8O4/c11-10(9-4-2-6-13-9)14-7-8-3-1-5-12-8/h1-6H,7H2

InChIKey

RRYLJIZZSKSDGN-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 137
Patents: 192.04225 Da
Monoisotopic Mass: 1.8
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]+	193.049526	136.4
[M+Na]+	215.031468	145.6
[M-H]-	191.034974	145.3
[M+NH4]+	210.076073	156.5
[M+K]+	231.005408	146.9
[M+H-H2O]+	175.039510	131.4
[M+HCOO]-	237.040451	163.3
[M+CH3COO]-	251.056101	177.7
[M+Na-2H]-	213.016916	143.2
[M]+	192.04170142	142.6
[M]-	192.04279858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe