CID 434453

8-azabicyclo[3.2.1]octan-3-one hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CC(=O)CC1N2
InChI
InChI=1S/C7H11NO/c9-7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2
InChIKey
CVDLBKMNONQOHJ-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

611
Patents

125.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.2
[M+Na]+ 148.07328 131.9
[M-H]- 124.07678 125.0
[M+NH4]+ 143.11788 148.8
[M+K]+ 164.04722 129.6
[M+H-H2O]+ 108.08132 120.2
[M+HCOO]- 170.08226 142.7
[M+CH3COO]- 184.09791 167.6
[M+Na-2H]- 146.05873 130.9
[M]+ 125.08351 119.9
[M]- 125.08461 119.9
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