CID 10268

3-furoic acid

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C1=COC=C1C(=O)O

InChI

InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

InChIKey

IHCCAYCGZOLTEU-UHFFFAOYSA-N

Compound name

furan-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 5827
Patents: 112.016045 Da
Monoisotopic Mass: 1.0
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]+	113.02332	117.9
[M+Na]+	135.00526	128.7
[M+NH4]+	130.04987	125.9
[M+K]+	150.97920	126.8
[M-H]-	111.00877	119.3
[M+Na-2H]-	132.99071	122.8
[M]+	112.01550	119.5
[M]-	112.01659	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe