CID 66723913

2031260-92-9

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2CCC1NC2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)

InChIKey

IXRLWLHDGBGFPX-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 226.16812 Da
Monoisotopic Mass: 1.5
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]+	227.175396	156.0
[M+Na]+	249.157338	158.1
[M-H]-	225.160844	149.4
[M+NH4]+	244.201943	176.4
[M+K]+	265.131278	156.4
[M+H-H2O]+	209.165380	151.6
[M+HCOO]-	271.166321	163.3
[M+CH3COO]-	285.181971	194.1
[M+Na-2H]-	247.142786	165.6
[M]+	226.16757142	155.3
[M]-	226.16866858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe