CID 644111

L-ribulose

Structural Information

Molecular Formula

C₅H₁₀O₅

SMILES

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

InChI

InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1

InChIKey

ZAQJHHRNXZUBTE-UCORVYFPSA-N

Compound name

(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 349
References: 54671
Patents: 150.05283 Da
Monoisotopic Mass: -2.6
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	130.7
[M+Na]+	173.04205	136.0
[M-H]-	149.04555	125.5
[M+NH4]+	168.08665	148.7
[M+K]+	189.01599	135.6
[M+H-H2O]+	133.05009	126.5
[M+HCOO]-	195.05103	147.1
[M+CH3COO]-	209.06668	165.9
[M+Na-2H]-	171.02750	132.2
[M]+	150.05228	128.5
[M]-	150.05338	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe