CID 13120912

Potassium 2,5-dihydroxypentanoate

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

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

InChI

InChI=1S/C5H10O4/c6-3-1-2-4(7)5(8)9/h4,6-7H,1-3H2,(H,8,9)

InChIKey

HVXQNGWJNMRWIP-UHFFFAOYSA-N

Compound name

2,5-dihydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 223
Patents: 134.0579 Da
Monoisotopic Mass: -0.8
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]+	135.06518	127.3
[M+Na]+	157.04712	133.4
[M-H]-	133.05062	123.5
[M+NH4]+	152.09172	146.9
[M+K]+	173.02106	132.9
[M+H-H2O]+	117.05516	123.2
[M+HCOO]-	179.05610	146.0
[M+CH3COO]-	193.07175	165.2
[M+Na-2H]-	155.03257	130.7
[M]+	134.05735	126.2
[M]-	134.05845	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe