CID 24840734

Brn 0163156

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CN1C(=O)C2(CCCC2)COC1=O

InChI

InChI=1S/C9H13NO3/c1-10-7(11)9(4-2-3-5-9)6-13-8(10)12/h2-6H2,1H3

InChIKey

DWWXCUZKYHZKGF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.08954 Da
Monoisotopic Mass: 1.0
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]+	184.096816	136.8
[M+Na]+	206.078758	144.4
[M-H]-	182.082264	141.6
[M+NH4]+	201.123363	158.2
[M+K]+	222.052698	144.1
[M+H-H2O]+	166.086800	131.4
[M+HCOO]-	228.087741	155.2
[M+CH3COO]-	242.103391	177.9
[M+Na-2H]-	204.064206	141.4
[M]+	183.08899142	133.7
[M]-	183.09008858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.