CID 217772

39617-53-3

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

CNC1CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N/c1-19-17-12-13-18(14-17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3

InChIKey

GBVGRIMDZXNCKR-UHFFFAOYSA-N

Compound name

N-methyl-3,3-diphenylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.1674 Da
Monoisotopic Mass: 4.1
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]+	252.17468	159.5
[M+Na]+	274.15662	164.8
[M-H]-	250.16012	168.8
[M+NH4]+	269.20122	179.5
[M+K]+	290.13056	159.9
[M+H-H2O]+	234.16466	151.5
[M+HCOO]-	296.16560	183.1
[M+CH3COO]-	310.18125	171.5
[M+Na-2H]-	272.14207	163.9
[M]+	251.16685	155.3
[M]-	251.16795	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe