CID 55283012

2-(2,6-dimethylphenyl)azetidine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=C(C(=CC=C1)C)C2CCN2

InChI

InChI=1S/C11H15N/c1-8-4-3-5-9(2)11(8)10-6-7-12-10/h3-5,10,12H,6-7H2,1-2H3

InChIKey

LEBWGOXBPAWYTK-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylphenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.12045 Da
Monoisotopic Mass: 2.2
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]+	162.127726	133.3
[M+Na]+	184.109668	140.1
[M-H]-	160.113174	137.4
[M+NH4]+	179.154273	146.2
[M+K]+	200.083608	139.8
[M+H-H2O]+	144.117710	122.0
[M+HCOO]-	206.118651	152.9
[M+CH3COO]-	220.134301	181.2
[M+Na-2H]-	182.095116	138.5
[M]+	161.11990142	139.3
[M]-	161.12099858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.