CID 47003623

3-ethyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
CCN1CC2CC(C1)C2=O
InChI
InChI=1S/C8H13NO/c1-2-9-4-6-3-7(5-9)8(6)10/h6-7H,2-5H2,1H3
InChIKey
DPOXVLYGMKIJAJ-UHFFFAOYSA-N
Compound name
3-ethyl-3-azabicyclo[3.1.1]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 134.9
[M+Na]+ 162.088938 140.9
[M-H]- 138.092444 133.0
[M+NH4]+ 157.133543 153.4
[M+K]+ 178.062878 142.5
[M+H-H2O]+ 122.096980 126.0
[M+HCOO]- 184.097921 148.2
[M+CH3COO]- 198.113571 183.1
[M+Na-2H]- 160.074386 144.7
[M]+ 139.09917142 145.8
[M]- 139.10026858 145.8
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

No patent data available for this compound.