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: 122
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]+	194.117556	143.4
[M+Na]+	216.099498	149.6
[M-H]-	192.103004	146.4
[M+NH4]+	211.144103	162.3
[M+K]+	232.073438	148.1
[M+H-H2O]+	176.107540	137.5
[M+HCOO]-	238.108481	165.8
[M+CH3COO]-	252.124131	185.2
[M+Na-2H]-	214.084946	149.2
[M]+	193.10973142	143.2
[M]-	193.11082858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe