CID 418347

1-azabicyclo[3.2.1]octan-6-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CN(C1)CC2=O
InChI
InChI=1S/C7H11NO/c9-7-5-8-3-1-2-6(7)4-8/h6H,1-5H2
InChIKey
WFYPDOYHAZFTIR-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.1]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.5
[M+Na]+ 148.07328 131.6
[M-H]- 124.07678 125.7
[M+NH4]+ 143.11788 148.8
[M+K]+ 164.04722 130.2
[M+H-H2O]+ 108.08132 119.2
[M+HCOO]- 170.08226 143.5
[M+CH3COO]- 184.09791 170.3
[M+Na-2H]- 146.05873 130.7
[M]+ 125.08351 121.0
[M]- 125.08461 121.0
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

patents stripe