CID 123801229

2-azabicyclo[3.1.1]heptan-3-one

Structural Information

Molecular Formula
C6H9NO
SMILES
C1C2CC1NC(=O)C2
InChI
InChI=1S/C6H9NO/c8-6-3-4-1-5(2-4)7-6/h4-5H,1-3H2,(H,7,8)
InChIKey
QOGQFBSFEMANBC-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.1.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 115.6
[M+Na]+ 134.05763 121.7
[M+NH4]+ 129.10223 122.1
[M+K]+ 150.03157 117.8
[M-H]- 110.06113 110.9
[M+Na-2H]- 132.04308 113.1
[M]+ 111.06786 113.8
[M]- 111.06896 113.8
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