CID 88348

Methyl 2-methyl-n-phenylalaninate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(C(=O)OC)NC1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-11(2,10(13)14-3)12-9-7-5-4-6-8-9/h4-8,12H,1-3H3

InChIKey

UWSZDTKNLYGFOX-UHFFFAOYSA-N

Compound name

methyl 2-anilino-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 193.11028 Da
Monoisotopic Mass: 2.4
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	142.8
[M+Na]+	216.099498	149.0
[M-H]-	192.103004	146.4
[M+NH4]+	211.144103	162.0
[M+K]+	232.073438	147.9
[M+H-H2O]+	176.107540	136.9
[M+HCOO]-	238.108481	165.9
[M+CH3COO]-	252.124131	185.8
[M+Na-2H]-	214.084946	149.7
[M]+	193.10973142	143.7
[M]-	193.11082858	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe