CID 121207311

2580219-40-3

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CN1CC2(CNC2)OCC1=O

InChI

InChI=1S/C7H12N2O2/c1-9-5-7(3-8-4-7)11-2-6(9)10/h8H,2-5H2,1H3

InChIKey

QTSSMXHVDRYGTO-UHFFFAOYSA-N

Compound name

8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.08987 Da
Monoisotopic Mass: -1.4
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]+	157.09715	128.6
[M+Na]+	179.07909	134.5
[M-H]-	155.08259	130.5
[M+NH4]+	174.12369	140.7
[M+K]+	195.05303	137.1
[M+H-H2O]+	139.08713	117.6
[M+HCOO]-	201.08807	143.5
[M+CH3COO]-	215.10372	175.2
[M+Na-2H]-	177.06454	135.9
[M]+	156.08932	132.8
[M]-	156.09042	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.