CID 439945

2-hydroxy-3-oxoadipate

Structural Information

Molecular Formula

C₆H₈O₆

SMILES

C(CC(=O)O)C(=O)C(C(=O)O)O

InChI

InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)

InChIKey

DVIFFQAOYQDXGL-UHFFFAOYSA-N

Compound name

2-hydroxy-3-oxohexanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 176.03209 Da
Monoisotopic Mass: -1.5
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]+	177.03937	135.3
[M+Na]+	199.02131	141.1
[M+NH4]+	194.06591	138.7
[M+K]+	214.99525	141.3
[M-H]-	175.02481	129.5
[M+Na-2H]-	197.00676	133.9
[M]+	176.03154	133.6
[M]-	176.03264	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe