CID 392323

2-hydroxy-2,3-dimethylbutanedioic acid

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(C(=O)O)C(C)(C(=O)O)O

InChI

InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)

InChIKey

WTIIULQJLZEHGZ-UHFFFAOYSA-N

Compound name

2-hydroxy-2,3-dimethylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 441
Patents: 162.05283 Da
Monoisotopic Mass: -0.6
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	131.4
[M+Na]+	185.04205	137.5
[M-H]-	161.04555	127.8
[M+NH4]+	180.08665	149.7
[M+K]+	201.01599	137.6
[M+H-H2O]+	145.05009	127.9
[M+HCOO]-	207.05103	147.7
[M+CH3COO]-	221.06668	170.7
[M+Na-2H]-	183.02750	134.1
[M]+	162.05228	130.4
[M]-	162.05338	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe