CID 242516

6-deoxy-l-galactonolactone

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(C1C(C(C(=O)O1)O)O)O

InChI

InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3

InChIKey

VASLEPDZAKCNJX-UHFFFAOYSA-N

Compound name

3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 31
Patents: 162.05283 Da
Monoisotopic Mass: -1.0
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]+	163.060106	130.3
[M+Na]+	185.042048	138.0
[M-H]-	161.045554	131.0
[M+NH4]+	180.086653	149.7
[M+K]+	201.015988	138.0
[M+H-H2O]+	145.050090	126.5
[M+HCOO]-	207.051031	148.3
[M+CH3COO]-	221.066681	169.5
[M+Na-2H]-	183.027496	132.4
[M]+	162.05228142	128.9
[M]-	162.05337858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe