CID 72208276

8-boc-2-oxo-8-azabicyclo[3.2.1]octane

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1C2CCC1C(=O)CC2

InChI

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

InChIKey

SJGXXUBCKFNNGB-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 225.13649 Da
Monoisotopic Mass: 1.6
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]+	226.14377	151.5
[M+Na]+	248.12571	159.5
[M+NH4]+	243.17031	158.7
[M+K]+	264.09965	157.3
[M-H]-	224.12921	149.7
[M+Na-2H]-	246.11116	151.5
[M]+	225.13594	151.8
[M]-	225.13704	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe