CID 84647680

6-oxa-3-azabicyclo(3.1.1)heptan-2-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1C2CNC(=O)C1O2
InChI
InChI=1S/C5H7NO2/c7-5-4-1-3(8-4)2-6-5/h3-4H,1-2H2,(H,6,7)
InChIKey
UFFOCBNUPMLUHJ-UHFFFAOYSA-N
Compound name
6-oxa-3-azabicyclo[3.1.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 114.4
[M+Na]+ 136.03689 120.5
[M+NH4]+ 131.08150 120.4
[M+K]+ 152.01083 117.6
[M-H]- 112.04040 110.4
[M+Na-2H]- 134.02234 111.1
[M]+ 113.04713 112.7
[M]- 113.04822 112.7
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.