CID 9548569

1-deoxy-d-xylulose

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

CC(=O)[C@H]([C@@H](CO)O)O

InChI

InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3/t4-,5-/m1/s1

InChIKey

IGUZJYCAXLYZEE-RFZPGFLSSA-N

Compound name

(3S,4R)-3,4,5-trihydroxypentan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 578
Patents: 134.0579 Da
Monoisotopic Mass: -2.0
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	127.1
[M+Na]+	157.04712	134.3
[M+NH4]+	152.09172	132.6
[M+K]+	173.02106	133.0
[M-H]-	133.05062	123.1
[M+Na-2H]-	155.03257	127.5
[M]+	134.05735	126.4
[M]-	134.05845	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe