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]+ 128.070606 122.7
[M+Na]+ 150.052548 129.8
[M-H]- 126.056054 123.2
[M+NH4]+ 145.097153 144.8
[M+K]+ 166.026488 129.1
[M+H-H2O]+ 110.060590 117.9
[M+HCOO]- 172.061531 139.8
[M+CH3COO]- 186.077181 166.6
[M+Na-2H]- 148.037996 129.8
[M]+ 127.06278142 119.1
[M]- 127.06387858 119.1
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.