CID 6454623

63489-63-4

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

C1CN(COC1)CN2CCCOC2

InChI

InChI=1S/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2

InChIKey

GJBKLYJVZOTRSP-UHFFFAOYSA-N

Compound name

3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 186.13683 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]+	187.144106	143.4
[M+Na]+	209.126048	145.9
[M-H]-	185.129554	146.5
[M+NH4]+	204.170653	156.7
[M+K]+	225.099988	147.2
[M+H-H2O]+	169.134090	134.4
[M+HCOO]-	231.135031	156.5
[M+CH3COO]-	245.150681	178.8
[M+Na-2H]-	207.111496	149.2
[M]+	186.13628142	137.1
[M]-	186.13737858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe