CID 239006

4838-35-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CCOC(=O)CNC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H15NO3/c1-2-16-12(15)9-13-11(14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)

InChIKey

JMOABIAPWACPKV-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-phenylacetyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 221.1052 Da
Monoisotopic Mass: 1.6
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]+	222.112476	150.1
[M+Na]+	244.094418	155.3
[M-H]-	220.097924	153.2
[M+NH4]+	239.139023	167.8
[M+K]+	260.068358	154.0
[M+H-H2O]+	204.102460	143.2
[M+HCOO]-	266.103401	173.8
[M+CH3COO]-	280.119051	189.9
[M+Na-2H]-	242.079866	154.4
[M]+	221.10465142	151.7
[M]-	221.10574858	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe