CID 67234236

1357352-04-5

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCC1C(C2)N

InChI

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

InChIKey

VOJMZLZBOIHIRI-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 226.16812 Da
Monoisotopic Mass: 1.2
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	157.5
[M+Na]+	249.157338	160.9
[M-H]-	225.160844	152.1
[M+NH4]+	244.201943	178.7
[M+K]+	265.131278	159.7
[M+H-H2O]+	209.165380	153.1
[M+HCOO]-	271.166321	165.6
[M+CH3COO]-	285.181971	197.1
[M+Na-2H]-	247.142786	165.8
[M]+	226.16757142	157.9
[M]-	226.16866858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe