CID 160186

Temekhin

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1(CC2CCN1C(C2)(C)C)C

InChI

InChI=1S/C11H21N/c1-10(2)7-9-5-6-12(10)11(3,4)8-9/h9H,5-8H2,1-4H3

InChIKey

HLLQHWKGHJJMOS-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethyl-1-azabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1
Patents: 167.1674 Da
Monoisotopic Mass: 2.4
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]+	168.17468	142.4
[M+Na]+	190.15662	148.8
[M-H]-	166.16012	138.4
[M+NH4]+	185.20122	170.4
[M+K]+	206.13056	146.3
[M+H-H2O]+	150.16466	137.1
[M+HCOO]-	212.16560	152.3
[M+CH3COO]-	226.18125	153.4
[M+Na-2H]-	188.14207	153.2
[M]+	167.16685	143.5
[M]-	167.16795	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe