CID 50445

69357-09-1

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCCOC(=O)C(C1=CC=CC=C1)N

InChI

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

InChIKey

OTVFBDVSAVOXGJ-UHFFFAOYSA-N

Compound name

propyl 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 193.11028 Da
Monoisotopic Mass: 1.8
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]+	194.11756	143.8
[M+Na]+	216.09950	154.2
[M+NH4]+	211.14410	151.4
[M+K]+	232.07344	148.9
[M-H]-	192.10300	145.5
[M+Na-2H]-	214.08495	149.5
[M]+	193.10973	145.5
[M]-	193.11083	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe