CID 11218405

207405-68-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)N

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3/t8?,9-,10+

InChIKey

NZJKEPNCNBWESN-PBINXNQUSA-N

Compound name

tert-butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 600
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
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	155.7
[M+Na]+	249.157338	160.9
[M-H]-	225.160844	156.2
[M+NH4]+	244.201943	175.9
[M+K]+	265.131278	159.4
[M+H-H2O]+	209.165380	150.5
[M+HCOO]-	271.166321	171.0
[M+CH3COO]-	285.181971	192.1
[M+Na-2H]-	247.142786	157.8
[M]+	226.16757142	152.8
[M]-	226.16866858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe