CID 47002136

3-methoxy-3-phenylazetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1(CNC1)C2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c1-12-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3

InChIKey

UQZZKRPLWZRFPB-UHFFFAOYSA-N

Compound name

3-methoxy-3-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 163.09972 Da
Monoisotopic Mass: 0.8
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]+	164.106996	133.2
[M+Na]+	186.088938	139.4
[M-H]-	162.092444	137.2
[M+NH4]+	181.133543	147.3
[M+K]+	202.062878	139.9
[M+H-H2O]+	146.096980	122.3
[M+HCOO]-	208.097921	153.3
[M+CH3COO]-	222.113571	177.7
[M+Na-2H]-	184.074386	141.2
[M]+	163.09917142	139.7
[M]-	163.10026858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe