CID 2793719

13529-17-4

Structural Information

Molecular Formula

C₆H₄O₄

SMILES

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

InChI

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

InChIKey

SHNRXUWGUKDPMA-UHFFFAOYSA-N

Compound name

5-formylfuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1896
Patents: 140.01096 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]+	141.018236	122.1
[M+Na]+	163.000178	131.4
[M-H]-	139.003684	125.8
[M+NH4]+	158.044783	143.5
[M+K]+	178.974118	131.7
[M+H-H2O]+	123.008220	117.7
[M+HCOO]-	185.009161	146.3
[M+CH3COO]-	199.024811	168.0
[M+Na-2H]-	160.985626	128.4
[M]+	140.01041142	124.5
[M]-	140.01150858	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe