CID 18972857

4,5-dihydrofuran-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1COC(=C1)C(=O)O

InChI

InChI=1S/C5H6O3/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7)

InChIKey

NFTOEHBFQROATQ-UHFFFAOYSA-N

Compound name

2,3-dihydrofuran-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5722
Patents: 114.03169 Da
Monoisotopic Mass: 0.5
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	119.7
[M+Na]+	137.02091	129.6
[M+NH4]+	132.06551	127.6
[M+K]+	152.99485	127.8
[M-H]-	113.02441	120.8
[M+Na-2H]-	135.00636	123.7
[M]+	114.03114	121.1
[M]-	114.03224	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe