CID 65805096

2-methyl-2-phenylazetidine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1(CCN1)C2=CC=CC=C2

InChI

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

InChIKey

USHOGZQCCQEHGK-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 147.1048 Da
Monoisotopic Mass: 1.6
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]+	148.112076	130.3
[M+Na]+	170.094018	136.7
[M-H]-	146.097524	134.3
[M+NH4]+	165.138623	145.1
[M+K]+	186.067958	136.6
[M+H-H2O]+	130.102060	119.7
[M+HCOO]-	192.103001	150.3
[M+CH3COO]-	206.118651	175.8
[M+Na-2H]-	168.079466	138.3
[M]+	147.10425142	135.5
[M]-	147.10534858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe