CID 9361734

28921-39-3

Structural Information

Molecular Formula

C₇H₆O₄

SMILES

COC(=O)C1=C(C=CO1)C=O

InChI

InChI=1S/C7H6O4/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3

InChIKey

WMLYEFDVFZYMCB-UHFFFAOYSA-N

Compound name

methyl 3-formylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.02661 Da
Monoisotopic Mass: 0.6
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]+	155.03389	128.3
[M+Na]+	177.01583	139.2
[M+NH4]+	172.06043	135.5
[M+K]+	192.98977	137.2
[M-H]-	153.01933	129.4
[M+Na-2H]-	175.00128	132.5
[M]+	154.02606	129.9
[M]-	154.02716	129.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.