CID 10285815

Dimethyl l-malate

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

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

InChI

InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1

InChIKey

YSEKNCXYRGKTBJ-BYPYZUCNSA-N

Compound name

dimethyl (2S)-2-hydroxybutanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 2424
Patents: 162.05283 Da
Monoisotopic Mass: -0.7
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]+	163.060106	131.4
[M+Na]+	185.042048	138.1
[M-H]-	161.045554	130.5
[M+NH4]+	180.086653	151.3
[M+K]+	201.015988	139.6
[M+H-H2O]+	145.050090	126.8
[M+HCOO]-	207.051031	152.4
[M+CH3COO]-	221.066681	174.0
[M+Na-2H]-	183.027496	134.4
[M]+	162.05228142	134.6
[M]-	162.05337858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe