CID 21029978

3-(2-methoxyphenyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC=CC=C1C2(CNC2)O

InChI

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

InChIKey

JTFCJYMFLUIYPD-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	137.1
[M+Na]+	202.08386	144.8
[M+NH4]+	197.12846	142.6
[M+K]+	218.05780	139.3
[M-H]-	178.08736	136.4
[M+Na-2H]-	200.06931	143.0
[M]+	179.09409	136.9
[M]-	179.09519	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe