CID 23625

1-methyl-3-phenylazetidine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CN1CC(C1)C2=CC=CC=C2

InChI

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

InChIKey

HBSAVFITCIMVRM-UHFFFAOYSA-N

Compound name

1-methyl-3-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 147.1048 Da
Monoisotopic Mass: 1.8
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	126.7
[M+Na]+	170.094018	133.5
[M-H]-	146.097524	131.9
[M+NH4]+	165.138623	140.5
[M+K]+	186.067958	134.3
[M+H-H2O]+	130.102060	115.1
[M+HCOO]-	192.103001	148.1
[M+CH3COO]-	206.118651	179.8
[M+Na-2H]-	168.079466	133.8
[M]+	147.10425142	133.8
[M]-	147.10534858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe