CID 86767354

1823500-01-1

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCCC(C1)N2

InChI

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

InChIKey

NRSXXKHXMGDSKT-UHFFFAOYSA-N

Compound name

tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
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]+	227.17540	154.5
[M+Na]+	249.15734	162.9
[M+NH4]+	244.20194	161.5
[M+K]+	265.13128	158.4
[M-H]-	225.16084	152.8
[M+Na-2H]-	247.14279	155.2
[M]+	226.16757	154.8
[M]-	226.16867	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe