CID 4304236

N-(4-butyrylphenyl)acetamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCCC(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C12H15NO2/c1-3-4-12(15)10-5-7-11(8-6-10)13-9(2)14/h5-8H,3-4H2,1-2H3,(H,13,14)

InChIKey

NYUNVUICRAJDLH-UHFFFAOYSA-N

Compound name

N-(4-butanoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 205.11028 Da
Monoisotopic Mass: 2.1
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]+	206.11756	147.0
[M+Na]+	228.09950	157.9
[M+NH4]+	223.14410	154.3
[M+K]+	244.07344	152.2
[M-H]-	204.10300	148.6
[M+Na-2H]-	226.08495	152.5
[M]+	205.10973	148.7
[M]-	205.11083	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe