CID 151006

Galactonolactone

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

C1[C@H]([C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O

InChI

InChI=1S/C6H10O6/c7-2-1-12-6(11)5(10)4(9)3(2)8/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1

InChIKey

WTXGYGWMPUGBAL-MGCNEYSASA-N

Compound name

(3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxepan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 64
References: 1150
Patents: 178.04774 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]+	179.05502	131.6
[M+Na]+	201.03696	138.3
[M+NH4]+	196.08156	136.1
[M+K]+	217.01090	138.7
[M-H]-	177.04046	130.4
[M+Na-2H]-	199.02241	132.1
[M]+	178.04719	131.7
[M]-	178.04829	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe