CID 10727

N-ethylacetanilide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCN(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C10H13NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

InChIKey

FSSVIYSWRLKICW-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 519
Patents: 163.09972 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]+	164.106996	135.1
[M+Na]+	186.088938	141.5
[M-H]-	162.092444	140.1
[M+NH4]+	181.133543	156.1
[M+K]+	202.062878	141.1
[M+H-H2O]+	146.096980	128.8
[M+HCOO]-	208.097921	160.3
[M+CH3COO]-	222.113571	184.0
[M+Na-2H]-	184.074386	141.1
[M]+	163.09917142	135.9
[M]-	163.10026858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe