CID 84647900

4,7-diazaspiro[2.5]octan-6-one

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CC12CNC(=O)CN2

InChI

InChI=1S/C6H10N2O/c9-5-3-8-6(1-2-6)4-7-5/h8H,1-4H2,(H,7,9)

InChIKey

KBVSXSGJPRMNQF-UHFFFAOYSA-N

Compound name

4,7-diazaspiro[2.5]octan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.079315 Da
Monoisotopic Mass: -0.7
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]+	127.08659	133.9
[M+Na]+	149.06853	142.4
[M-H]-	125.07204	134.9
[M+NH4]+	144.11314	149.2
[M+K]+	165.04247	139.2
[M+H-H2O]+	109.07658	127.6
[M+HCOO]-	171.07752	150.0
[M+CH3COO]-	185.09317	145.2
[M+Na-2H]-	147.05398	140.9
[M]+	126.07877	128.9
[M]-	126.07986	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.