CID 12769202

2-oxa-5-azabicyclo[2.2.1]heptan-3-one hydrochloride

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1C2CNC1C(=O)O2
InChI
InChI=1S/C5H7NO2/c7-5-4-1-3(8-5)2-6-4/h3-4,6H,1-2H2
InChIKey
WAWSGFGXFSUXIA-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[2.2.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 119.3
[M+Na]+ 136.036894 127.7
[M-H]- 112.040400 120.3
[M+NH4]+ 131.081499 143.8
[M+K]+ 152.010834 127.4
[M+H-H2O]+ 96.044936 115.3
[M+HCOO]- 158.045877 138.8
[M+CH3COO]- 172.061527 163.8
[M+Na-2H]- 134.022342 125.4
[M]+ 113.04712742 117.5
[M]- 113.04822458 117.5
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