CID 201980

3-(4-methoxyphenyl)azetidine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1=CC=C(C=C1)C2CNC2

InChI

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

InChIKey

JBMISQBTERXMTI-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 163.09972 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]+	164.10700	132.1
[M+Na]+	186.08894	140.6
[M+NH4]+	181.13354	137.1
[M+K]+	202.06288	136.1
[M-H]-	162.09244	132.5
[M+Na-2H]-	184.07439	137.7
[M]+	163.09917	132.2
[M]-	163.10027	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe