CID 11401239

117610-09-0

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

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

InChI

InChI=1S/C8H15NO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5,9H2,1-3H3

InChIKey

IPROINJJJLRTQV-UHFFFAOYSA-N

Compound name

diethyl 2-amino-2-methylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 189.10011 Da
Monoisotopic Mass: 0.3
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]+	190.10739	141.4
[M+Na]+	212.08933	147.6
[M-H]-	188.09283	141.3
[M+NH4]+	207.13393	160.6
[M+K]+	228.06327	148.5
[M+H-H2O]+	172.09737	136.6
[M+HCOO]-	234.09831	162.9
[M+CH3COO]-	248.11396	184.2
[M+Na-2H]-	210.07478	145.0
[M]+	189.09956	144.1
[M]-	189.10066	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe