CID 19478

3717-40-6

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

CN(C)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3

InChIKey

NFBYCNFAXLUGBT-UHFFFAOYSA-N

Compound name

N,N-dimethyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 183
Patents: 179.1674 Da
Monoisotopic Mass: 2.9
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]+	180.17468	143.0
[M+Na]+	202.15662	144.6
[M-H]-	178.16012	139.6
[M+NH4]+	197.20122	170.2
[M+K]+	218.13056	142.7
[M+H-H2O]+	162.16466	136.7
[M+HCOO]-	224.16560	151.8
[M+CH3COO]-	238.18125	152.5
[M+Na-2H]-	200.14207	153.7
[M]+	179.16685	142.5
[M]-	179.16795	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe