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]+ 140.10700 134.9
[M+Na]+ 162.08894 140.9
[M-H]- 138.09244 133.0
[M+NH4]+ 157.13354 153.4
[M+K]+ 178.06288 142.5
[M+H-H2O]+ 122.09698 126.0
[M+HCOO]- 184.09792 148.2
[M+CH3COO]- 198.11357 183.1
[M+Na-2H]- 160.07439 144.7
[M]+ 139.09917 145.8
[M]- 139.10027 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.