CID 18545173

286947-16-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2CCC(C1)N2

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-9-4-5-10(8-14)13-9/h9-10,13H,4-8H2,1-3H3

InChIKey

WFPATFQNPHQQIG-UHFFFAOYSA-N

Compound name

tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 226.16812 Da
Monoisotopic Mass: 1.4
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]+	227.175396	152.4
[M+Na]+	249.157338	156.1
[M-H]-	225.160844	152.1
[M+NH4]+	244.201943	169.6
[M+K]+	265.131278	157.3
[M+H-H2O]+	209.165380	146.2
[M+HCOO]-	271.166321	164.4
[M+CH3COO]-	285.181971	188.2
[M+Na-2H]-	247.142786	155.1
[M]+	226.16757142	146.6
[M]-	226.16866858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe