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

56
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 119.3
[M+Na]+ 136.03689 127.7
[M-H]- 112.04040 120.3
[M+NH4]+ 131.08150 143.8
[M+K]+ 152.01083 127.4
[M+H-H2O]+ 96.044936 115.3
[M+HCOO]- 158.04588 138.8
[M+CH3COO]- 172.06153 163.8
[M+Na-2H]- 134.02234 125.4
[M]+ 113.04713 117.5
[M]- 113.04822 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