CID 11851

608-68-4

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

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

InChI

InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1

InChIKey

PVRATXCXJDHJJN-QWWZWVQMSA-N

Compound name

dimethyl (2R,3R)-2,3-dihydroxybutanedioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 595
Patents: 178.04774 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]+	179.05502	134.5
[M+Na]+	201.03696	140.4
[M-H]-	177.04046	132.2
[M+NH4]+	196.08156	152.8
[M+K]+	217.01090	142.1
[M+H-H2O]+	161.04500	129.9
[M+HCOO]-	223.04594	153.1
[M+CH3COO]-	237.06159	174.7
[M+Na-2H]-	199.02241	135.7
[M]+	178.04719	136.5
[M]-	178.04829	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe