CID 65457869

1-(2-aminophenyl)-2-cyclobutylethan-1-one

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC(C1)CC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C12H15NO/c13-11-7-2-1-6-10(11)12(14)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8,13H2

InChIKey

DTTALDBDDRLUFU-UHFFFAOYSA-N

Compound name

1-(2-aminophenyl)-2-cyclobutylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.11537 Da
Monoisotopic Mass: 3.2
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]+	190.122646	141.7
[M+Na]+	212.104588	146.2
[M-H]-	188.108094	147.4
[M+NH4]+	207.149193	154.1
[M+K]+	228.078528	146.8
[M+H-H2O]+	172.112630	129.6
[M+HCOO]-	234.113571	163.2
[M+CH3COO]-	248.129221	189.0
[M+Na-2H]-	210.090036	145.2
[M]+	189.11482142	147.2
[M]-	189.11591858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe