CID 15036610

124499-22-5

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CN(C)C(=O)CC1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H18N2O/c1-14(2)12(15)9-11-5-3-10(4-6-11)7-8-13/h3-6H,7-9,13H2,1-2H3

InChIKey

ZHIUNNNQUPYJKN-UHFFFAOYSA-N

Compound name

2-[4-(2-aminoethyl)phenyl]-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.1419 Da
Monoisotopic Mass: 0.6
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]+	207.14918	149.0
[M+Na]+	229.13112	154.5
[M-H]-	205.13462	153.3
[M+NH4]+	224.17572	167.9
[M+K]+	245.10506	153.3
[M+H-H2O]+	189.13916	142.0
[M+HCOO]-	251.14010	173.9
[M+CH3COO]-	265.15575	195.5
[M+Na-2H]-	227.11657	152.3
[M]+	206.14135	149.1
[M]-	206.14245	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe