CID 46907353

3-(4-methoxyphenyl)azetidin-3-olhydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC=C(C=C1)C2(CNC2)O

InChI

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

InChIKey

ZDFQMXLENOVNIT-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 179.09464 Da
Monoisotopic Mass: 0.2
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]+	180.10192	137.7
[M+Na]+	202.08386	144.0
[M-H]-	178.08736	140.5
[M+NH4]+	197.12846	150.6
[M+K]+	218.05780	144.2
[M+H-H2O]+	162.09190	126.9
[M+HCOO]-	224.09284	156.4
[M+CH3COO]-	238.10849	178.2
[M+Na-2H]-	200.06931	144.3
[M]+	179.09409	144.1
[M]-	179.09519	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe