CID 78917231

2770368-53-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CN(C1CNC1)C2=CC=CC=C2

InChI

InChI=1S/C10H14N2/c1-12(10-7-11-8-10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3

InChIKey

YGAHTSURWORARF-UHFFFAOYSA-N

Compound name

N-methyl-N-phenylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 162.11569 Da
Monoisotopic Mass: 1.5
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]+	163.12297	134.0
[M+Na]+	185.10491	138.4
[M-H]-	161.10841	138.7
[M+NH4]+	180.14951	146.3
[M+K]+	201.07885	139.7
[M+H-H2O]+	145.11295	121.2
[M+HCOO]-	207.11389	155.2
[M+CH3COO]-	221.12954	184.2
[M+Na-2H]-	183.09036	140.5
[M]+	162.11514	139.2
[M]-	162.11624	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe