CID 3044080

56740-42-2

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1(CCC(C1)N)C2=CC=CC=C2

InChI

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

InChIKey

UXJTXGZWYKPUAM-UHFFFAOYSA-N

Compound name

3-methyl-3-phenylcyclopentan-1-amine

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	140.4
[M+Na]+	198.12532	151.9
[M+NH4]+	193.16992	151.9
[M+K]+	214.09926	144.4
[M-H]-	174.12882	145.4
[M+Na-2H]-	196.11077	149.5
[M]+	175.13555	143.6
[M]-	175.13665	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.