CID 53338922

198210-17-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1C2CCC1CNC2

InChI

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

InChIKey

HHYUNZXSGVNMOY-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
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	155.6
[M+Na]+	249.157338	159.4
[M-H]-	225.160844	154.8
[M+NH4]+	244.201943	174.9
[M+K]+	265.131278	157.4
[M+H-H2O]+	209.165380	150.2
[M+HCOO]-	271.166321	170.0
[M+CH3COO]-	285.181971	189.0
[M+Na-2H]-	247.142786	158.9
[M]+	226.16757142	151.4
[M]-	226.16866858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe