CID 15527

4'-aminobutyrophenone

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

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

InChIKey

CYCSOZSEBPZGPC-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 116
Patents: 163.09972 Da
Monoisotopic Mass: 1.7
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	135.2
[M+Na]+	186.088938	142.3
[M-H]-	162.092444	138.5
[M+NH4]+	181.133543	155.5
[M+K]+	202.062878	140.1
[M+H-H2O]+	146.096980	129.4
[M+HCOO]-	208.097921	159.3
[M+CH3COO]-	222.113571	181.6
[M+Na-2H]-	184.074386	140.1
[M]+	163.09917142	134.2
[M]-	163.10026858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe