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

88
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 124.5
[M+Na]+ 148.073278 131.6
[M-H]- 124.076784 125.7
[M+NH4]+ 143.117883 148.8
[M+K]+ 164.047218 130.2
[M+H-H2O]+ 108.081320 119.2
[M+HCOO]- 170.082261 143.5
[M+CH3COO]- 184.097911 170.3
[M+Na-2H]- 146.058726 130.7
[M]+ 125.08351142 121.0
[M]- 125.08460858 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