CID 18540412

335621-00-6

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CC2CNCC(C1)O2

InChI

InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-6-8-4-12-5-9(7-13)15-8/h8-9,12H,4-7H2,1-3H3

InChIKey

LHJSYLNUEZBFED-UHFFFAOYSA-N

Compound name

tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 228.1474 Da
Monoisotopic Mass: 0.2
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]+	229.154676	154.5
[M+Na]+	251.136618	158.8
[M-H]-	227.140124	152.8
[M+NH4]+	246.181223	169.5
[M+K]+	267.110558	158.5
[M+H-H2O]+	211.144660	147.9
[M+HCOO]-	273.145601	164.0
[M+CH3COO]-	287.161251	186.5
[M+Na-2H]-	249.122066	160.2
[M]+	228.14685142	151.2
[M]-	228.14794858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe