CID 24840729

Brn 0142304

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

C1CCC2(C1)COC(=O)NC2=O

InChI

InChI=1S/C8H11NO3/c10-6-8(3-1-2-4-8)5-12-7(11)9-6/h1-5H2,(H,9,10,11)

InChIKey

PHPJKYHMPCUZFL-UHFFFAOYSA-N

Compound name

7-oxa-9-azaspiro[4.5]decane-8,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.0739 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]+	170.08118	136.3
[M+Na]+	192.06312	145.6
[M+NH4]+	187.10772	145.3
[M+K]+	208.03706	141.1
[M-H]-	168.06662	138.1
[M+Na-2H]-	190.04857	140.5
[M]+	169.07335	137.9
[M]-	169.07445	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.