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]+ 124.075686 123.2
[M+Na]+ 146.057628 130.9
[M-H]- 122.061134 123.3
[M+NH4]+ 141.102233 146.9
[M+K]+ 162.031568 128.4
[M+H-H2O]+ 106.065670 118.2
[M+HCOO]- 168.066611 142.1
[M+CH3COO]- 182.082261 136.6
[M+Na-2H]- 144.043076 129.9
[M]+ 123.06786142 119.3
[M]- 123.06895858 119.3
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.