CID 5744546

3-amino-1-(diphenylmethyl)azetidine

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2

InChIKey

LYTNNHXGUOKXFI-UHFFFAOYSA-N

Compound name

1-benzhydrylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 298
Patents: 238.147 Da
Monoisotopic Mass: 2.4
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]+	239.15428	154.3
[M+Na]+	261.13622	158.5
[M-H]-	237.13972	161.2
[M+NH4]+	256.18082	163.1
[M+K]+	277.11016	157.3
[M+H-H2O]+	221.14426	139.7
[M+HCOO]-	283.14520	174.2
[M+CH3COO]-	297.16085	198.0
[M+Na-2H]-	259.12167	158.4
[M]+	238.14645	158.4
[M]-	238.14755	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe