CID 3010130

[(adamantan-1-yl)methyl](methyl)amine

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

CNCC12CC3CC(C1)CC(C3)C2

InChI

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

InChIKey

DQSIEXZABIATEF-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 97
Patents: 179.1674 Da
Monoisotopic Mass: 2.7
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]+	180.17468	142.1
[M+Na]+	202.15662	143.8
[M-H]-	178.16012	137.4
[M+NH4]+	197.20122	168.7
[M+K]+	218.13056	140.6
[M+H-H2O]+	162.16466	136.0
[M+HCOO]-	224.16560	150.5
[M+CH3COO]-	238.18125	151.1
[M+Na-2H]-	200.14207	153.7
[M]+	179.16685	140.7
[M]-	179.16795	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe