CID 171921234

Rac-(1r,6s)-7-azabicyclo[4.2.0]oct-4-en-8-one

Structural Information

Molecular Formula
C7H9NO
SMILES
C1C[C@H]2[C@H](C=C1)NC2=O
InChI
InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h2,4-6H,1,3H2,(H,8,9)/t5-,6-/m0/s1
InChIKey
ZICVDPIJTAJVJA-WDSKDSINSA-N
Compound name
(1S,6S)-7-azabicyclo[4.2.0]oct-4-en-8-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 121.8
[M+Na]+ 146.05763 129.0
[M+NH4]+ 141.10223 126.9
[M+K]+ 162.03157 125.1
[M-H]- 122.06113 120.2
[M+Na-2H]- 144.04308 124.3
[M]+ 123.06786 121.0
[M]- 123.06896 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

No patent data available for this compound.