CID 439392

3-hydroxy-2,2-dimethylbutanedioic acid

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(C)([C@H](C(=O)O)O)C(=O)O

InChI

InChI=1S/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)/t3-/m0/s1

InChIKey

KSAIICDEQGEQBK-VKHMYHEASA-N

Compound name

(3R)-3-hydroxy-2,2-dimethylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 204
Patents: 162.05283 Da
Monoisotopic Mass: -0.4
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	137.5
[M-H]-	161.045554	127.8
[M+NH4]+	180.086653	149.7
[M+K]+	201.015988	137.6
[M+H-H2O]+	145.050090	127.9
[M+HCOO]-	207.051031	147.7
[M+CH3COO]-	221.066681	170.7
[M+Na-2H]-	183.027496	134.1
[M]+	162.05228142	130.4
[M]-	162.05337858	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe