CID 12414280

2-oxa-4-azabicyclo[3.2.0]heptan-3-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1CC2C1NC(=O)O2
InChI
InChI=1S/C5H7NO2/c7-5-6-3-1-2-4(3)8-5/h3-4H,1-2H2,(H,6,7)
InChIKey
SWPHEDFPEADJIA-UHFFFAOYSA-N
Compound name
2-oxa-4-azabicyclo[3.2.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

113.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 112.9
[M+Na]+ 136.036894 119.8
[M-H]- 112.040400 115.5
[M+NH4]+ 131.081499 128.7
[M+K]+ 152.010834 122.7
[M+H-H2O]+ 96.044936 103.7
[M+HCOO]- 158.045877 131.7
[M+CH3COO]- 172.061527 167.9
[M+Na-2H]- 134.022342 120.2
[M]+ 113.04712742 119.6
[M]- 113.04822458 119.6
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