CID 83560

2-(acetylphenylamino)ethyl acetate

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

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

InChI

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

InChIKey

IGXHOQNEKVKXSV-UHFFFAOYSA-N

Compound name

2-(N-acetylanilino)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.1052 Da
Monoisotopic Mass: 1.2
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