CID 72208216

1319716-42-1

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCC(=O)C2

InChI

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

InChIKey

KVDDOJNQXATXQE-UHFFFAOYSA-N

Compound name

tert-butyl 8-oxo-2-azaspiro[4.4]nonane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 239.15215 Da
Monoisotopic Mass: 1.2
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]+	240.15943	156.9
[M+Na]+	262.14137	163.5
[M+NH4]+	257.18597	164.9
[M+K]+	278.11531	161.6
[M-H]-	238.14487	156.1
[M+Na-2H]-	260.12682	159.7
[M]+	239.15160	157.3
[M]-	239.15270	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe