CID 52918

2-norbornanamine, n-(4-chlorobenzhydryl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂ClN

SMILES

C1CC2CC1CC2NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN/c21-18-10-8-16(9-11-18)20(15-4-2-1-3-5-15)22-19-13-14-6-7-17(19)12-14/h1-5,8-11,14,17,19-20,22H,6-7,12-13H2

InChIKey

NILHOUWPRPKWPB-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)-phenylmethyl]bicyclo[2.2.1]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.14407 Da
Monoisotopic Mass: 5.4
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]+	312.151346	176.8
[M+Na]+	334.133288	182.3
[M-H]-	310.136794	185.2
[M+NH4]+	329.177893	196.7
[M+K]+	350.107228	175.1
[M+H-H2O]+	294.141330	169.9
[M+HCOO]-	356.142271	192.8
[M+CH3COO]-	370.157921	187.4
[M+Na-2H]-	332.118736	176.5
[M]+	311.14352142	175.3
[M]-	311.14461858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.