CID 439373

L-gulonic acid, gamma-lactone

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O

InChI

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1

InChIKey

SXZYCXMUPBBULW-SKNVOMKLSA-N

Compound name

(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 142
References: 3524
Patents: 178.04774 Da
Monoisotopic Mass: -2.0
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]+	179.05502	133.5
[M+Na]+	201.03696	140.5
[M-H]-	177.04046	132.7
[M+NH4]+	196.08156	151.3
[M+K]+	217.01090	140.2
[M+H-H2O]+	161.04500	129.5
[M+HCOO]-	223.04594	150.1
[M+CH3COO]-	237.06159	169.6
[M+Na-2H]-	199.02241	135.2
[M]+	178.04719	131.7
[M]-	178.04829	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe