CID 12421749

O-(n-methylamino)propiophenone

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCC(=O)C1=CC=CC=C1NC

InChI

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

InChIKey

NGNHGKZBLXYQBG-UHFFFAOYSA-N

Compound name

1-[2-(methylamino)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 163.09972 Da
Monoisotopic Mass: 2.9
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	134.5
[M+Na]+	186.088938	141.6
[M-H]-	162.092444	138.4
[M+NH4]+	181.133543	155.1
[M+K]+	202.062878	139.8
[M+H-H2O]+	146.096980	128.7
[M+HCOO]-	208.097921	159.3
[M+CH3COO]-	222.113571	182.3
[M+Na-2H]-	184.074386	140.6
[M]+	163.09917142	134.5
[M]-	163.10026858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe