CID 96127

Ethyl n-acetyl-n-phenylglycinate

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-16-12(15)9-13(10(2)14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3

InChIKey

TWDRHDKGILAXDB-UHFFFAOYSA-N

Compound name

ethyl 2-(N-acetylanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 221.1052 Da
Monoisotopic Mass: 1.0
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]+	222.112476	149.7
[M+Na]+	244.094418	155.2
[M-H]-	220.097924	154.4
[M+NH4]+	239.139023	168.1
[M+K]+	260.068358	155.3
[M+H-H2O]+	204.102460	142.8
[M+HCOO]-	266.103401	174.0
[M+CH3COO]-	280.119051	193.4
[M+Na-2H]-	242.079866	153.4
[M]+	221.10465142	152.8
[M]-	221.10574858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe