CID 3044096

Cyclohexanamine, 4,4-diphenyl-, maleate

Structural Information

Molecular Formula

C₁₈H₂₁N

SMILES

C1CC(CCC1N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

BRTQLTWLOHSEQU-UHFFFAOYSA-N

Compound name

4,4-diphenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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]+	252.174676	160.6
[M+Na]+	274.156618	165.0
[M-H]-	250.160124	168.9
[M+NH4]+	269.201223	178.3
[M+K]+	290.130558	159.8
[M+H-H2O]+	234.164660	152.0
[M+HCOO]-	296.165601	181.2
[M+CH3COO]-	310.181251	171.4
[M+Na-2H]-	272.142066	165.5
[M]+	251.16685142	153.1
[M]-	251.16794858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe