CID 11229253

58567-05-8

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

CCOC(=O)C(C)(C(=O)OCC)O

InChI

InChI=1S/C8H14O5/c1-4-12-6(9)8(3,11)7(10)13-5-2/h11H,4-5H2,1-3H3

InChIKey

AADFAKNRCHZLNB-UHFFFAOYSA-N

Compound name

diethyl 2-hydroxy-2-methylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 190.08412 Da
Monoisotopic Mass: 0.5
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]+	191.091396	139.8
[M+Na]+	213.073338	146.4
[M-H]-	189.076844	138.8
[M+NH4]+	208.117943	158.8
[M+K]+	229.047278	147.3
[M+H-H2O]+	173.081380	135.5
[M+HCOO]-	235.082321	159.6
[M+CH3COO]-	249.097971	179.4
[M+Na-2H]-	211.058786	143.9
[M]+	190.08357142	144.0
[M]-	190.08466858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe