CID 3037582

Mucic acid

Structural Information

Molecular Formula

C₆H₁₀O₈

SMILES

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

InChI

InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-

InChIKey

DSLZVSRJTYRBFB-DUHBMQHGSA-N

Compound name

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1363
References: 123072
Patents: 210.03757 Da
Monoisotopic Mass: -2.5
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]+	211.044846	140.9
[M+Na]+	233.026788	144.1
[M-H]-	209.030294	132.7
[M+NH4]+	228.071393	154.3
[M+K]+	249.000728	144.9
[M+H-H2O]+	193.034830	136.3
[M+HCOO]-	255.035771	151.8
[M+CH3COO]-	269.051421	174.1
[M+Na-2H]-	231.012236	137.4
[M]+	210.03702142	137.0
[M]-	210.03811858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe