CID 162047

Imechine

Structural Information

Molecular Formula

C₁₂H₂₄N

SMILES

CC1(CC2CC[N+]1(C(C2)(C)C)C)C

InChI

InChI=1S/C12H24N/c1-11(2)8-10-6-7-13(11,5)12(3,4)9-10/h10H,6-9H2,1-5H3/q+1

InChIKey

VNSAIJRRZWPAMC-UHFFFAOYSA-N

Compound name

1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 10
Patents: 182.19087 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]+	183.19815	142.5
[M+Na]+	205.18009	149.5
[M-H]-	181.18359	139.1
[M+NH4]+	200.22469	171.8
[M+K]+	221.15403	141.3
[M+H-H2O]+	165.18813	139.8
[M+HCOO]-	227.18907	151.8
[M+CH3COO]-	241.20472	183.4
[M+Na-2H]-	203.16554	156.0
[M]+	182.19032	142.8
[M]-	182.19142	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe