CID 45158734

954236-44-3

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2

InChI

InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3

InChIKey

XDSCHYPLQWGQRC-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 255.14706 Da
Monoisotopic Mass: 0.9
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]+	256.15434	158.6
[M+Na]+	278.13628	166.3
[M+NH4]+	273.18088	166.2
[M+K]+	294.11022	163.1
[M-H]-	254.13978	159.3
[M+Na-2H]-	276.12173	161.5
[M]+	255.14651	159.7
[M]-	255.14761	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe