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

4
Annotation Hits: 64
References: 1321
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]+	179.055016	127.9
[M+Na]+	201.036958	132.9
[M-H]-	177.040464	128.6
[M+NH4]+	196.081563	143.1
[M+K]+	217.010898	137.9
[M+H-H2O]+	161.045000	123.8
[M+HCOO]-	223.045941	142.9
[M+CH3COO]-	237.061591	172.8
[M+Na-2H]-	199.022406	131.1
[M]+	178.04719142	122.1
[M]-	178.04828858	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe