CID 6326997

5-hydroxy-2,4-dioxopentanoate

Structural Information

Molecular Formula

C₅H₆O₅

SMILES

C(C(=O)CO)C(=O)C(=O)O

InChI

InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)

InChIKey

PHPQIPPBBQUFII-UHFFFAOYSA-N

Compound name

5-hydroxy-2,4-dioxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 146.02153 Da
Monoisotopic Mass: -1.1
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]+	147.02881	127.9
[M+Na]+	169.01075	135.3
[M+NH4]+	164.05535	132.6
[M+K]+	184.98469	134.0
[M-H]-	145.01425	123.4
[M+Na-2H]-	166.99620	128.2
[M]+	146.02098	127.0
[M]-	146.02208	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe