CID 10678200

4-azaspiro[2.4]heptan-5-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC2(CC2)NC1=O
InChI
InChI=1S/C6H9NO/c8-5-1-2-6(7-5)3-4-6/h1-4H2,(H,7,8)
InChIKey
VQUZFCQUXHZVOW-UHFFFAOYSA-N
Compound name
4-azaspiro[2.4]heptan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

111.06841 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 125.1
[M+Na]+ 134.057628 134.9
[M-H]- 110.061134 129.1
[M+NH4]+ 129.102233 144.7
[M+K]+ 150.031568 132.5
[M+H-H2O]+ 94.065670 120.0
[M+HCOO]- 156.066611 145.8
[M+CH3COO]- 170.082261 166.8
[M+Na-2H]- 132.043076 131.7
[M]+ 111.06786142 123.4
[M]- 111.06895858 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

literature stripe

Patent stripe

patents stripe