CID 40582

2-adamantanamine, n-benzyl-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₃N

SMILES

C1C2CC3CC1CC(C2)C3NCC4=CC=CC=C4

InChI

InChI=1S/C17H23N/c1-2-4-12(5-3-1)11-18-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-18H,6-11H2

InChIKey

ZCXANRFELYORDX-UHFFFAOYSA-N

Compound name

N-benzyladamantan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 241.18304 Da
Monoisotopic Mass: 3.7
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]+	242.19032	153.2
[M+Na]+	264.17226	164.6
[M+NH4]+	259.21686	166.1
[M+K]+	280.14620	154.8
[M-H]-	240.17576	155.5
[M+Na-2H]-	262.15771	153.0
[M]+	241.18249	155.5
[M]-	241.18359	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe