CID 73425158

5-azaspiro[2.4]heptan-6-one

Structural Information

Molecular Formula

SMILES

C1CC12CC(=O)NC2

InChI

InChI=1S/C6H9NO/c8-5-3-6(1-2-6)4-7-5/h1-4H2,(H,7,8)

InChIKey

PBPXYUDWJDBQTL-UHFFFAOYSA-N

Compound name

5-azaspiro[2.4]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 111.06841 Da
Monoisotopic Mass: -0.1
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]+	112.07569	126.4
[M+Na]+	134.05763	137.9
[M+NH4]+	129.10223	137.1
[M+K]+	150.03157	133.7
[M-H]-	110.06113	134.4
[M+Na-2H]-	132.04308	134.9
[M]+	111.06786	131.3
[M]-	111.06896	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe