CID 30694

3-deoxypentonic acid

Structural Information

Molecular Formula

C₅H₁₀O₅

SMILES

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

InChI

InChI=1S/C5H10O5/c6-2-3(7)1-4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)

InChIKey

RSKGLBJVIAQRMC-UHFFFAOYSA-N

Compound name

2,4,5-trihydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 103
Patents: 150.05283 Da
Monoisotopic Mass: -1.8
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]+	151.06011	130.3
[M+Na]+	173.04205	136.5
[M+NH4]+	168.08665	134.8
[M+K]+	189.01599	136.0
[M-H]-	149.04555	125.2
[M+Na-2H]-	171.02750	129.6
[M]+	150.05228	129.0
[M]-	150.05338	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe