CID 11019032

Apulose

Structural Information

Molecular Formula

C₅H₁₀O₅

SMILES

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

InChI

InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h6-8,10H,1-3H2

InChIKey

KNWXMEXZFWGIPP-UHFFFAOYSA-N

Compound name

1,3,4-trihydroxy-3-(hydroxymethyl)butan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 150.05283 Da
Monoisotopic Mass: -2.9
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	129.3
[M+Na]+	173.04205	135.9
[M+NH4]+	168.08665	133.9
[M+K]+	189.01599	135.1
[M-H]-	149.04555	124.1
[M+Na-2H]-	171.02750	129.3
[M]+	150.05228	128.1
[M]-	150.05338	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe