CID 73846

1467-70-5

Structural Information

Molecular Formula

C₆H₄O₄

SMILES

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

InChI

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

InChIKey

IXVPCJUAKDVYKX-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 628
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]+	141.018236	123.5
[M+Na]+	163.000178	131.5
[M-H]-	139.003684	126.8
[M+NH4]+	158.044783	144.4
[M+K]+	178.974118	132.3
[M+H-H2O]+	123.008220	118.8
[M+HCOO]-	185.009161	146.6
[M+CH3COO]-	199.024811	167.7
[M+Na-2H]-	160.985626	129.1
[M]+	140.01041142	124.7
[M]-	140.01150858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe