CID 10285815

617-55-0

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

1
Annotation Hits: 4
References: 284
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]+	163.06011	132.6
[M+Na]+	185.04205	140.4
[M+NH4]+	180.08665	137.9
[M+K]+	201.01599	138.7
[M-H]-	161.04555	128.9
[M+Na-2H]-	183.02750	133.5
[M]+	162.05228	132.1
[M]-	162.05338	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe