CID 14585548

5-azaspiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC12CCNC2=O
InChI
InChI=1S/C6H9NO/c8-5-6(1-2-6)3-4-7-5/h1-4H2,(H,7,8)
InChIKey
YNZIVTLXBOAMAP-UHFFFAOYSA-N
Compound name
5-azaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

111.06841 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe