CID 217778

39617-57-7

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

C1CC(CC1CN)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N/c19-14-15-11-12-18(13-15,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15H,11-14,19H2

InChIKey

SSWZPCOBYGHHDP-UHFFFAOYSA-N

Compound name

(3,3-diphenylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.1674 Da
Monoisotopic Mass: 4.0
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	162.2
[M+Na]+	274.15662	175.4
[M+NH4]+	269.20122	173.8
[M+K]+	290.13056	166.0
[M-H]-	250.16012	169.8
[M+Na-2H]-	272.14207	173.8
[M]+	251.16685	166.5
[M]-	251.16795	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe