CID 22323783

5-formylfuran-3-carboxylic acid

Structural Information

Molecular Formula

C₆H₄O₄

SMILES

C1=C(OC=C1C(=O)O)C=O

InChI

InChI=1S/C6H4O4/c7-2-5-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)

InChIKey

IRYKMSRWDXXLJL-UHFFFAOYSA-N

Compound name

5-formylfuran-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 140.01096 Da
Monoisotopic Mass: 0.3
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]+	141.01824	124.3
[M+Na]+	163.00018	134.9
[M+NH4]+	158.04478	131.3
[M+K]+	178.97412	133.4
[M-H]-	139.00368	124.9
[M+Na-2H]-	160.98563	128.2
[M]+	140.01041	125.7
[M]-	140.01151	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe