CID 131247601

Chebi:157706

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C([C@H](/C=C/C=O)O)O

InChI

InChI=1S/C5H8O3/c6-3-1-2-5(8)4-7/h1-3,5,7-8H,4H2/b2-1+/t5-/m0/s1

InChIKey

MERWVFZVBUHPAV-WYPBCBNTSA-N

Compound name

(E,4S)-4,5-dihydroxypent-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 116.04734 Da
Monoisotopic Mass: -1.4
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]+	117.05462	122.8
[M+Na]+	139.03656	131.8
[M+NH4]+	134.08116	129.3
[M+K]+	155.01050	127.9
[M-H]-	115.04006	120.1
[M+Na-2H]-	137.02201	125.0
[M]+	116.04679	122.8
[M]-	116.04789	122.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.