CID 568302

Methyl 2-amino-2-methyl-3-phenylpropanoate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(CC1=CC=CC=C1)(C(=O)OC)N

InChI

InChI=1S/C11H15NO2/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3

InChIKey

DAOFJPZFGBKAMZ-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-methyl-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 193.11028 Da
Monoisotopic Mass: 1.4
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]+	194.11756	143.5
[M+Na]+	216.09950	154.0
[M+NH4]+	211.14410	151.0
[M+K]+	232.07344	149.0
[M-H]-	192.10300	144.8
[M+Na-2H]-	214.08495	149.5
[M]+	193.10973	145.2
[M]-	193.11083	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe