CID 16776177

2-[4-(2-aminoethyl)phenoxy]-n-cyclopropylacetamide

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1CC1NC(=O)COC2=CC=C(C=C2)CCN

InChI

InChI=1S/C13H18N2O2/c14-8-7-10-1-5-12(6-2-10)17-9-13(16)15-11-3-4-11/h1-2,5-6,11H,3-4,7-9,14H2,(H,15,16)

InChIKey

BPRBSUMDCCOQNH-UHFFFAOYSA-N

Compound name

2-[4-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.13683 Da
Monoisotopic Mass: 1.1
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]+	235.144106	149.2
[M+Na]+	257.126048	156.1
[M-H]-	233.129554	155.9
[M+NH4]+	252.170653	161.5
[M+K]+	273.099988	152.4
[M+H-H2O]+	217.134090	141.9
[M+HCOO]-	279.135031	174.1
[M+CH3COO]-	293.150681	198.3
[M+Na-2H]-	255.111496	153.9
[M]+	234.13628142	151.2
[M]-	234.13737858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.