CID 64411

59807-53-3

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

C1C2CC3CC1CC(C2)C3CCN

InChI

InChI=1S/C12H21N/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,1-7,13H2

InChIKey

QQIDWRBNXQXUMI-UHFFFAOYSA-N

Compound name

2-(2-adamantyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 179.1674 Da
Monoisotopic Mass: 3.0
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]+	180.174676	142.2
[M+Na]+	202.156618	143.7
[M-H]-	178.160124	137.1
[M+NH4]+	197.201223	166.9
[M+K]+	218.130558	140.5
[M+H-H2O]+	162.164660	136.9
[M+HCOO]-	224.165601	150.1
[M+CH3COO]-	238.181251	151.0
[M+Na-2H]-	200.142066	151.5
[M]+	179.16685142	140.0
[M]-	179.16794858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe