CID 57351933

637301-19-0

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CCC(C1)C2=O

InChI

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

InChIKey

ZORCNALJSKPJDE-UHFFFAOYSA-N

Compound name

tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 225.13649 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]+	226.14377	153.2
[M+Na]+	248.12571	159.5
[M-H]-	224.12921	154.3
[M+NH4]+	243.17031	173.8
[M+K]+	264.09965	158.3
[M+H-H2O]+	208.13375	148.3
[M+HCOO]-	270.13469	168.4
[M+CH3COO]-	284.15034	189.0
[M+Na-2H]-	246.11116	156.0
[M]+	225.13594	152.8
[M]-	225.13704	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe