CID 2812194

Maybridge3_002258

Structural Information

Molecular Formula

C₁₅H₂₁NO₄

SMILES

COC1=CC=C(C=C1)OCC(CNC(=O)C2CCC2)O

InChI

InChI=1S/C15H21NO4/c1-19-13-5-7-14(8-6-13)20-10-12(17)9-16-15(18)11-3-2-4-11/h5-8,11-12,17H,2-4,9-10H2,1H3,(H,16,18)

InChIKey

DPWYKFPMXBRLNX-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]cyclobutanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 279.14706 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]+	280.154336	165.2
[M+Na]+	302.136278	166.8
[M-H]-	278.139784	169.3
[M+NH4]+	297.180883	173.0
[M+K]+	318.110218	168.7
[M+H-H2O]+	262.144320	151.7
[M+HCOO]-	324.145261	184.2
[M+CH3COO]-	338.160911	202.3
[M+Na-2H]-	300.121726	166.2
[M]+	279.14651142	174.1
[M]-	279.14760858	174.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.