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]+ 114.05495 119.8
[M+Na]+ 136.03689 128.7
[M+NH4]+ 131.08150 128.5
[M+K]+ 152.01083 128.1
[M-H]- 112.04040 119.9
[M+Na-2H]- 134.02234 120.7
[M]+ 113.04713 120.7
[M]- 113.04822 120.7
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

patents stripe