CID 14412554

2,3-dihydroxy-2,4-cyclopentadien-1-one

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C1=CC(=O)C(=C1O)O

InChI

InChI=1S/C5H4O3/c6-3-1-2-4(7)5(3)8/h1-2H,(H2,6,7,8)

InChIKey

RUOZZXHSVNXNKB-UHFFFAOYSA-N

Compound name

2,3-dihydroxycyclopenta-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.016045 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]+	113.02332	117.7
[M+Na]+	135.00526	128.7
[M+NH4]+	130.04987	125.5
[M+K]+	150.97920	126.3
[M-H]-	111.00877	117.5
[M+Na-2H]-	132.99071	122.4
[M]+	112.01550	118.9
[M]-	112.01659	118.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.