CID 124538074

Rac-(1r,5s)-3-azabicyclo[3.2.0]heptan-2-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C[C@H]2[C@@H]1CNC2=O
InChI
InChI=1S/C6H9NO/c8-6-5-2-1-4(5)3-7-6/h4-5H,1-3H2,(H,7,8)/t4-,5-/m0/s1
InChIKey
HZOXLGTZNQCUPO-WHFBIAKZSA-N
Compound name
(1S,5R)-3-azabicyclo[3.2.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.0
[M+Na]+ 134.05763 125.4
[M+NH4]+ 129.10223 125.0
[M+K]+ 150.03157 123.9
[M-H]- 110.06113 117.5
[M+Na-2H]- 132.04308 120.9
[M]+ 111.06786 118.6
[M]- 111.06896 118.6
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.