CID 13018902

Methyl 2-amino-2,3-dimethylbutanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-5(2)7(3,8)6(9)10-4/h5H,8H2,1-4H3

InChIKey

OQQLWOQWKDIFEB-UHFFFAOYSA-N

Compound name

methyl 2-amino-2,3-dimethylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 145.11028 Da
Monoisotopic Mass: 0.8
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	132.7
[M+Na]+	168.09950	139.0
[M-H]-	144.10300	132.8
[M+NH4]+	163.14410	153.8
[M+K]+	184.07344	139.8
[M+H-H2O]+	128.10754	128.4
[M+HCOO]-	190.10848	153.8
[M+CH3COO]-	204.12413	178.7
[M+Na-2H]-	166.08495	136.6
[M]+	145.10973	132.8
[M]-	145.11083	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe