CID 86708012

2-azaspiro[3.3]heptan-6-one hydrochloride

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C(=O)CC12CNC2
InChI
InChI=1S/C6H9NO/c8-5-1-6(2-5)3-7-4-6/h7H,1-4H2
InChIKey
PEDCOKAJSPIIFY-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

111.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 125.9
[M+Na]+ 134.05763 127.5
[M+NH4]+ 129.10223 127.8
[M+K]+ 150.03157 124.8
[M-H]- 110.06113 121.9
[M+Na-2H]- 132.04308 127.3
[M]+ 111.06786 122.8
[M]- 111.06896 122.8
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