CID 4657579

61564-98-5

Structural Information

Molecular Formula

C₅H₆O₄

SMILES

C1COC(=CO1)C(=O)O

InChI

InChI=1S/C5H6O4/c6-5(7)4-3-8-1-2-9-4/h3H,1-2H2,(H,6,7)

InChIKey

ZZHGJPGNSHXDJV-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-dioxine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 130.02661 Da
Monoisotopic Mass: 0.0
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]+	131.03389	122.0
[M+Na]+	153.01583	133.0
[M+NH4]+	148.06043	129.5
[M+K]+	168.98977	130.0
[M-H]-	129.01933	124.8
[M+Na-2H]-	151.00128	126.2
[M]+	130.02606	124.1
[M]-	130.02716	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe