CID 23572080

5-hydroxy-2-oxopentanoate

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

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

InChI

InChI=1S/C5H8O4/c6-3-1-2-4(7)5(8)9/h6H,1-3H2,(H,8,9)

InChIKey

MMTYWJNSFWVPPS-UHFFFAOYSA-N

Compound name

5-hydroxy-2-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 155
Patents: 132.04225 Da
Monoisotopic Mass: -0.7
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]+	133.04953	125.8
[M+Na]+	155.03147	133.9
[M+NH4]+	150.07607	131.5
[M+K]+	171.00541	131.4
[M-H]-	131.03497	122.3
[M+Na-2H]-	153.01692	127.0
[M]+	132.04170	125.4
[M]-	132.04280	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe