CID 5255085

2,3-dihydroxy-2,3-dimethylbutanedioic acid

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

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

InChI

InChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)

InChIKey

CPLWWXZZFYHPJY-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-2,3-dimethylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 505
Patents: 178.04774 Da
Monoisotopic Mass: -1.5
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]+	179.05502	133.6
[M+Na]+	201.03696	139.7
[M-H]-	177.04046	128.8
[M+NH4]+	196.08156	150.6
[M+K]+	217.01090	139.6
[M+H-H2O]+	161.04500	130.6
[M+HCOO]-	223.04594	148.0
[M+CH3COO]-	237.06159	170.1
[M+Na-2H]-	199.02241	138.3
[M]+	178.04719	132.3
[M]-	178.04829	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe