CID 11805069

492-30-8

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

C[C@]1([C@@H]([C@H](OC1=O)CO)O)O

InChI

InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1

InChIKey

WJBVKNHJSHYNHO-ZMIZWQJLSA-N

Compound name

(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 143
Patents: 162.05283 Da
Monoisotopic Mass: -1.2
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]+	163.06011	130.1
[M+Na]+	185.04205	138.4
[M+NH4]+	180.08665	137.4
[M+K]+	201.01599	136.4
[M-H]-	161.04555	129.2
[M+Na-2H]-	183.02750	132.2
[M]+	162.05228	130.7
[M]-	162.05338	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe