CID 12200717

22694-55-9

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1C=CC(O1)C(=O)O

InChI

InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h1-2,4H,3H2,(H,6,7)

InChIKey

WZYOOTIVROCFMO-UHFFFAOYSA-N

Compound name

2,5-dihydrofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 114.03169 Da
Monoisotopic Mass: 0.1
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]+	115.03897	118.7
[M+Na]+	137.02091	126.2
[M-H]-	113.02441	121.7
[M+NH4]+	132.06551	140.9
[M+K]+	152.99485	127.1
[M+H-H2O]+	97.028950	114.3
[M+HCOO]-	159.02989	141.3
[M+CH3COO]-	173.04554	162.9
[M+Na-2H]-	135.00636	125.1
[M]+	114.03114	118.1
[M]-	114.03224	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe