CID 199891

Brn 0546218

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃

SMILES

C1CN(CCC12CNC(=O)O2)CC(CC3=CC=CC=C3)O

InChI

InChI=1S/C16H22N2O3/c19-14(10-13-4-2-1-3-5-13)11-18-8-6-16(7-9-18)12-17-15(20)21-16/h1-5,14,19H,6-12H2,(H,17,20)

InChIKey

XQCQBWOFMOHMCI-UHFFFAOYSA-N

Compound name

8-(2-hydroxy-3-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.16306 Da
Monoisotopic Mass: 1.5
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]+	291.170336	169.3
[M+Na]+	313.152278	172.7
[M-H]-	289.155784	172.0
[M+NH4]+	308.196883	182.5
[M+K]+	329.126218	169.5
[M+H-H2O]+	273.160320	160.6
[M+HCOO]-	335.161261	181.1
[M+CH3COO]-	349.176911	177.7
[M+Na-2H]-	311.137726	170.4
[M]+	290.16251142	162.5
[M]-	290.16360858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe