CID 11480520

Ethyl 3-amino-3-methylbutanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCOC(=O)CC(C)(C)N

InChI

InChI=1S/C7H15NO2/c1-4-10-6(9)5-7(2,3)8/h4-5,8H2,1-3H3

InChIKey

CINTWGJQDJSXPJ-UHFFFAOYSA-N

Compound name

ethyl 3-amino-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 145.11028 Da
Monoisotopic Mass: 0.1
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]+	146.11756	132.4
[M+Na]+	168.09950	140.6
[M+NH4]+	163.14410	139.2
[M+K]+	184.07344	137.1
[M-H]-	144.10300	130.9
[M+Na-2H]-	166.08495	134.9
[M]+	145.10973	132.8
[M]-	145.11083	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe