CID 135110

51736-48-2

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CN(C)CCC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C11H16N2O/c1-13(2)8-7-11(14)9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3

InChIKey

HOALLWNHKILPKF-UHFFFAOYSA-N

Compound name

1-(2-aminophenyl)-3-(dimethylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 192.12627 Da
Monoisotopic Mass: 1.6
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]+	193.13355	144.1
[M+Na]+	215.11549	150.0
[M-H]-	191.11899	148.6
[M+NH4]+	210.16009	163.4
[M+K]+	231.08943	149.0
[M+H-H2O]+	175.12353	137.3
[M+HCOO]-	237.12447	169.3
[M+CH3COO]-	251.14012	193.1
[M+Na-2H]-	213.10094	147.9
[M]+	192.12572	143.9
[M]-	192.12682	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe