CID 161959

1-pentanone, 1-(4-aminophenyl)-

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3

InChIKey

ODSCUBSJIFLFPF-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)pentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 8
Patents: 177.11537 Da
Monoisotopic Mass: 2.3
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]+	178.12265	140.0
[M+Na]+	200.10459	151.7
[M+NH4]+	195.14919	148.3
[M+K]+	216.07853	145.1
[M-H]-	176.10809	142.6
[M+Na-2H]-	198.09004	146.4
[M]+	177.11482	142.2
[M]-	177.11592	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe