CID 75190

N-phenylglycine ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CCOC(=O)CNC1=CC=CC=C1

InChI

InChI=1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3

InChIKey

MLSGRWDEDYJNER-UHFFFAOYSA-N

Compound name

ethyl 2-anilinoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 921
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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]+	180.10192	139.1
[M+Na]+	202.08386	150.4
[M+NH4]+	197.12846	147.1
[M+K]+	218.05780	144.1
[M-H]-	178.08736	141.2
[M+Na-2H]-	200.06931	145.9
[M]+	179.09409	141.1
[M]-	179.09519	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe