CID 21904757

Tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2CCC(C1)N2

InChI

InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8/h8-9,12H,4-7H2,1-3H3

InChIKey

PSDAEKDIOQXLLC-UHFFFAOYSA-N

Compound name

tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 529
Patents: 212.15248 Da
Monoisotopic Mass: 1.1
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]+	213.15976	153.1
[M+Na]+	235.14170	158.3
[M-H]-	211.14520	151.2
[M+NH4]+	230.18630	172.1
[M+K]+	251.11564	156.5
[M+H-H2O]+	195.14974	147.3
[M+HCOO]-	257.15068	165.5
[M+CH3COO]-	271.16633	183.7
[M+Na-2H]-	233.12715	156.3
[M]+	212.15193	149.9
[M]-	212.15303	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe