CID 79006824

91562-29-7

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCC1(CNC1)CC2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-2-12(9-13-10-12)8-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3

InChIKey

FAGAKGIEJIYQNT-UHFFFAOYSA-N

Compound name

3-benzyl-3-ethylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.1361 Da
Monoisotopic Mass: 2.5
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]+	176.14338	138.2
[M+Na]+	198.12532	146.5
[M+NH4]+	193.16992	144.8
[M+K]+	214.09926	139.2
[M-H]-	174.12882	138.9
[M+Na-2H]-	196.11077	145.3
[M]+	175.13555	138.6
[M]-	175.13665	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.