CID 56760720

4,7-diazaspiro[2.5]octan-5-one

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CC12CNCC(=O)N2

InChI

InChI=1S/C6H10N2O/c9-5-3-7-4-6(8-5)1-2-6/h7H,1-4H2,(H,8,9)

InChIKey

JTVPAPLJEHMQMX-UHFFFAOYSA-N

Compound name

4,7-diazaspiro[2.5]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	130.8
[M+Na]+	149.06853	142.6
[M+NH4]+	144.11314	140.6
[M+K]+	165.04247	136.9
[M-H]-	125.07204	138.2
[M+Na-2H]-	147.05398	139.2
[M]+	126.07877	135.5
[M]-	126.07986	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe