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]+ 112.075686 117.2
[M+Na]+ 134.057628 123.9
[M-H]- 110.061134 119.1
[M+NH4]+ 129.102233 134.4
[M+K]+ 150.031568 125.0
[M+H-H2O]+ 94.065670 107.8
[M+HCOO]- 156.066611 136.4
[M+CH3COO]- 170.082261 168.9
[M+Na-2H]- 132.043076 122.9
[M]+ 111.06786142 122.3
[M]- 111.06895858 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.