CID 5069406

Tert-butyl 2-(methylamino)acetate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3

InChIKey

MYKMOIQAHCMLIR-UHFFFAOYSA-N

Compound name

tert-butyl 2-(methylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1793
Patents: 145.11028 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]+	146.117556	132.5
[M+Na]+	168.099498	139.2
[M-H]-	144.103004	133.1
[M+NH4]+	163.144103	154.1
[M+K]+	184.073438	139.8
[M+H-H2O]+	128.107540	128.2
[M+HCOO]-	190.108481	155.2
[M+CH3COO]-	204.124131	177.8
[M+Na-2H]-	166.084946	138.7
[M]+	145.10973142	134.3
[M]-	145.11082858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe