CID 55300356

(1r,5r)-6-azabicyclo[3.2.1]oct-3-en-7-one

Structural Information

Molecular Formula
C7H9NO
SMILES
C1C=C[C@H]2C[C@@H]1C(=O)N2
InChI
InChI=1S/C7H9NO/c9-7-5-2-1-3-6(4-5)8-7/h1,3,5-6H,2,4H2,(H,8,9)/t5-,6+/m1/s1
InChIKey
KJKHEEYKLRFBKR-RITPCOANSA-N
Compound name
(1R,5R)-6-azabicyclo[3.2.1]oct-3-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.6
[M+Na]+ 146.05763 134.3
[M+NH4]+ 141.10223 133.1
[M+K]+ 162.03157 130.0
[M-H]- 122.06113 123.8
[M+Na-2H]- 144.04308 126.8
[M]+ 123.06786 124.9
[M]- 123.06896 124.9
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.