CID 132371388

Tert-butyl 8-amino-2-azabicyclo[5.1.0]octane-2-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCCC2C1C2N

InChI

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

InChIKey

DMBGWVCELMTFCO-UHFFFAOYSA-N

Compound name

tert-butyl 8-amino-2-azabicyclo[5.1.0]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	147.0
[M+Na]+	249.157338	152.7
[M-H]-	225.160844	151.2
[M+NH4]+	244.201943	159.3
[M+K]+	265.131278	154.5
[M+H-H2O]+	209.165380	141.2
[M+HCOO]-	271.166321	163.1
[M+CH3COO]-	285.181971	196.9
[M+Na-2H]-	247.142786	150.5
[M]+	226.16757142	145.1
[M]-	226.16866858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.