CID 57367054

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

Structural Information

Molecular Formula
C7H11NO
SMILES
C1C2CC(=O)CC1NC2
InChI
InChI=1S/C7H11NO/c9-7-2-5-1-6(3-7)8-4-5/h5-6,8H,1-4H2
InChIKey
YKHKXSSNUGYASF-UHFFFAOYSA-N
Compound name
6-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

125.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.2
[M+Na]+ 148.073278 131.9
[M-H]- 124.076784 125.0
[M+NH4]+ 143.117883 148.8
[M+K]+ 164.047218 129.6
[M+H-H2O]+ 108.081320 120.2
[M+HCOO]- 170.082261 142.7
[M+CH3COO]- 184.097911 167.6
[M+Na-2H]- 146.058726 130.9
[M]+ 125.08351142 119.9
[M]- 125.08460858 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