CID 54384244

2-methyl-5-phenylpiperidine

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1CCC(CN1)C2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-10-7-8-12(9-13-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3

InChIKey

MDNNQUKRMONUEH-UHFFFAOYSA-N

Compound name

2-methyl-5-phenylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	141.2
[M+Na]+	198.12532	154.5
[M+NH4]+	193.16992	150.9
[M+K]+	214.09926	146.4
[M-H]-	174.12882	145.6
[M+Na-2H]-	196.11077	149.5
[M]+	175.13555	144.3
[M]-	175.13665	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe