CID 84762204

3-oxa-6-azabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C2COCC1NC2=O
InChI
InChI=1S/C6H9NO2/c8-6-4-1-5(7-6)3-9-2-4/h4-5H,1-3H2,(H,7,8)
InChIKey
YQYLSZKCXQYNQA-UHFFFAOYSA-N
Compound name
3-oxa-6-azabicyclo[3.2.1]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 123.9
[M+Na]+ 150.05255 133.7
[M+NH4]+ 145.09715 132.7
[M+K]+ 166.02649 130.7
[M-H]- 126.05605 124.7
[M+Na-2H]- 148.03800 125.4
[M]+ 127.06278 125.1
[M]- 127.06388 125.1
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.