CID 67234017

1311390-85-8

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CCC1C(=O)C2

InChI

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)10(14)6-8/h8-9H,4-7H2,1-3H3

InChIKey

TZFSRKZPRIJHFU-UHFFFAOYSA-N

Compound name

tert-butyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 225.13649 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]+	226.143766	154.7
[M+Na]+	248.125708	159.0
[M-H]-	224.129214	150.0
[M+NH4]+	243.170313	176.3
[M+K]+	264.099648	158.0
[M+H-H2O]+	208.133750	150.4
[M+HCOO]-	270.134691	162.8
[M+CH3COO]-	284.150341	194.1
[M+Na-2H]-	246.111156	163.7
[M]+	225.13594142	157.5
[M]-	225.13703858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe