CID 6917064

Ethyl 2-[(1-phenylethyl)amino]acetate

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCOC(=O)CNC(C)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3

InChIKey

NFYBPTIJJCODFR-UHFFFAOYSA-N

Compound name

ethyl 2-(1-phenylethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 207.12593 Da
Monoisotopic Mass: 2.0
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]+	208.13321	148.2
[M+Na]+	230.11515	158.7
[M+NH4]+	225.15975	155.8
[M+K]+	246.08909	152.8
[M-H]-	206.11865	150.0
[M+Na-2H]-	228.10060	154.1
[M]+	207.12538	150.0
[M]-	207.12648	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe