CID 73425158

5-azaspiro[2.4]heptan-6-one

Structural Information

Molecular Formula
C6H9NO
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

51
Patents

111.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 125.1
[M+Na]+ 134.05763 134.9
[M-H]- 110.06113 129.1
[M+NH4]+ 129.10223 144.7
[M+K]+ 150.03157 132.5
[M+H-H2O]+ 94.065670 120.0
[M+HCOO]- 156.06661 145.8
[M+CH3COO]- 170.08226 166.8
[M+Na-2H]- 132.04308 131.7
[M]+ 111.06786 123.4
[M]- 111.06896 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe