CID 22309141

3-(3-methoxyphenoxy)azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC(=CC=C1)OC2CNC2

InChI

InChI=1S/C10H13NO2/c1-12-8-3-2-4-9(5-8)13-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3

InChIKey

QRHBRUDGTZWRJB-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenoxy)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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]+	180.101916	133.8
[M+Na]+	202.083858	139.7
[M-H]-	178.087364	137.5
[M+NH4]+	197.128463	145.4
[M+K]+	218.057798	140.7
[M+H-H2O]+	162.091900	121.8
[M+HCOO]-	224.092841	154.0
[M+CH3COO]-	238.108491	181.1
[M+Na-2H]-	200.069306	140.2
[M]+	179.09409142	141.8
[M]-	179.09518858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe