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 117.2
[M+Na]+ 134.05763 123.9
[M-H]- 110.06113 119.1
[M+NH4]+ 129.10223 134.4
[M+K]+ 150.03157 125.0
[M+H-H2O]+ 94.065670 107.8
[M+HCOO]- 156.06661 136.4
[M+CH3COO]- 170.08226 168.9
[M+Na-2H]- 132.04308 122.9
[M]+ 111.06786 122.3
[M]- 111.06896 122.3
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.