CID 146155522

554450-65-6

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

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

InChI

InChI=1S/C7H13NO4/c1-7(4-8,5(9)11-2)6(10)12-3/h4,8H2,1-3H3

InChIKey

RGJSGTYPSGZWMU-UHFFFAOYSA-N

Compound name

dimethyl 2-(aminomethyl)-2-methylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.08446 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]+	176.09174	137.3
[M+Na]+	198.07368	144.3
[M+NH4]+	193.11828	142.5
[M+K]+	214.04762	142.6
[M-H]-	174.07718	134.2
[M+Na-2H]-	196.05913	138.4
[M]+	175.08391	136.9
[M]-	175.08501	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.