CID 157

Hex-5-ulosonic acid

Structural Information

Molecular Formula

C₆H₁₀O₇

SMILES

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

InChI

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)

InChIKey

IZSRJDGCGRAUAR-UHFFFAOYSA-N

Compound name

2,3,4,6-tetrahydroxy-5-oxohexanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 3657
Patents: 194.04265 Da
Monoisotopic Mass: -3.0
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]+	195.04993	139.5
[M+Na]+	217.03187	143.3
[M+NH4]+	212.07647	141.7
[M+K]+	233.00581	145.6
[M-H]-	193.03537	132.0
[M+Na-2H]-	215.01732	136.2
[M]+	194.04210	136.9
[M]-	194.04320	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe