CID 23641

1-ethyl-3-methyl-3-phenylazetidine

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCN1CC(C1)(C)C2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-3-13-9-12(2,10-13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3

InChIKey

IBTFOUVBDTVISK-UHFFFAOYSA-N

Compound name

1-ethyl-3-methyl-3-phenylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.1361 Da
Monoisotopic Mass: 2.7
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	137.7
[M+Na]+	198.12532	144.6
[M-H]-	174.12882	143.1
[M+NH4]+	193.16992	152.5
[M+K]+	214.09926	145.0
[M+H-H2O]+	158.13336	126.7
[M+HCOO]-	220.13430	158.5
[M+CH3COO]-	234.14995	185.2
[M+Na-2H]-	196.11077	144.5
[M]+	175.13555	145.8
[M]-	175.13665	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe