CID 311832

3717-59-7

Structural Information

Molecular Formula

C₁₇H₂₁N

SMILES

C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4

InChI

InChI=1S/C17H21N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,12,14-16H,6-11H2

InChIKey

ARZVPKSLBSRXIG-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 239.1674 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]+	240.17468	152.0
[M+Na]+	262.15662	153.4
[M-H]-	238.16012	151.4
[M+NH4]+	257.20122	176.3
[M+K]+	278.13056	148.8
[M+H-H2O]+	222.16466	143.0
[M+HCOO]-	284.16560	162.0
[M+CH3COO]-	298.18125	160.7
[M+Na-2H]-	260.14207	163.7
[M]+	239.16685	150.5
[M]-	239.16795	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe