CID 20090050

3-azabicyclo[4.1.0]heptan-4-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C2C1CNC(=O)C2
InChI
InChI=1S/C6H9NO/c8-6-2-4-1-5(4)3-7-6/h4-5H,1-3H2,(H,7,8)
InChIKey
KNWOHYJTPMZOHT-UHFFFAOYSA-N
Compound name
3-azabicyclo[4.1.0]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

111.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.3
[M+Na]+ 134.05763 134.9
[M+NH4]+ 129.10223 132.0
[M+K]+ 150.03157 130.6
[M-H]- 110.06113 130.1
[M+Na-2H]- 132.04308 129.3
[M]+ 111.06786 127.2
[M]- 111.06896 127.2
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

patents stripe