CID 21983962

849203-60-7

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(CCC2=O)CC1

InChI

InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10(13)15/h4-9H2,1-3H3

InChIKey

IJUALTPNDJIBJT-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-7-azaspiro[3.5]nonane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 239.15215 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]+	240.159426	154.5
[M+Na]+	262.141368	158.7
[M-H]-	238.144874	158.1
[M+NH4]+	257.185973	166.7
[M+K]+	278.115308	160.8
[M+H-H2O]+	222.149410	144.2
[M+HCOO]-	284.150351	168.9
[M+CH3COO]-	298.166001	193.0
[M+Na-2H]-	260.126816	158.1
[M]+	239.15160142	160.9
[M]-	239.15269858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe