CID 69104

Dimethyl methylmalonate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

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

InChI

InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3

InChIKey

LRBPFPZTIZSOGG-UHFFFAOYSA-N

Compound name

dimethyl 2-methylpropanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2817
Patents: 146.0579 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]+	147.065176	127.8
[M+Na]+	169.047118	135.1
[M-H]-	145.050624	128.5
[M+NH4]+	164.091723	149.2
[M+K]+	185.021058	137.0
[M+H-H2O]+	129.055160	123.3
[M+HCOO]-	191.056101	150.1
[M+CH3COO]-	205.071751	174.6
[M+Na-2H]-	167.032566	131.3
[M]+	146.05735142	131.5
[M]-	146.05844858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe