CID 22055664

2361644-54-2

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1C(=O)NCC2(O1)CNC2

InChI

InChI=1S/C6H10N2O2/c9-5-1-10-6(4-8-5)2-7-3-6/h7H,1-4H2,(H,8,9)

InChIKey

SBZCIWWBKHCWTH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 142.07423 Da
Monoisotopic Mass: -1.6
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]+	143.08151	125.5
[M+Na]+	165.06345	130.5
[M-H]-	141.06695	125.8
[M+NH4]+	160.10805	137.1
[M+K]+	181.03739	132.4
[M+H-H2O]+	125.07149	114.5
[M+HCOO]-	187.07243	139.2
[M+CH3COO]-	201.08808	168.7
[M+Na-2H]-	163.04890	133.4
[M]+	142.07368	127.1
[M]-	142.07478	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe