CID 45283397

2-benzylazetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CNC1CC2=CC=CC=C2

InChI

InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-10-6-7-11-10/h1-5,10-11H,6-8H2

InChIKey

QACCZSKNXCZIRW-UHFFFAOYSA-N

Compound name

2-benzylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 147.1048 Da
Monoisotopic Mass: 1.9
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]+	148.11208	128.5
[M+Na]+	170.09402	137.1
[M+NH4]+	165.13862	134.0
[M+K]+	186.06796	131.9
[M-H]-	146.09752	129.3
[M+Na-2H]-	168.07947	134.8
[M]+	147.10425	128.8
[M]-	147.10535	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe