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: 104
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]+	164.10700	135.2
[M+Na]+	186.08894	142.3
[M-H]-	162.09244	138.5
[M+NH4]+	181.13354	155.5
[M+K]+	202.06288	140.1
[M+H-H2O]+	146.09698	129.4
[M+HCOO]-	208.09792	159.3
[M+CH3COO]-	222.11357	181.6
[M+Na-2H]-	184.07439	140.1
[M]+	163.09917	134.2
[M]-	163.10027	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe