CID 54595967

3-methyl-2-phenylazetidine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1CNC1C2=CC=CC=C2

InChI

InChI=1S/C10H13N/c1-8-7-11-10(8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3

InChIKey

ADXUADGJFQCUSH-UHFFFAOYSA-N

Compound name

3-methyl-2-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	137.5
[M+NH4]+	165.13862	134.1
[M+K]+	186.06796	132.5
[M-H]-	146.09752	129.4
[M+Na-2H]-	168.07947	134.6
[M]+	147.10425	128.9
[M]-	147.10535	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe