CID 15651199

4-oxa-1-azabicyclo[3.3.1]nonan-6-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CN2CCOC(C2)C1=O
InChI
InChI=1S/C7H11NO2/c9-6-1-2-8-3-4-10-7(6)5-8/h7H,1-5H2
InChIKey
XVWDJAQXVZKSOV-UHFFFAOYSA-N
Compound name
4-oxa-1-azabicyclo[3.3.1]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

141.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 125.9
[M+Na]+ 164.06820 132.0
[M-H]- 140.07170 127.4
[M+NH4]+ 159.11280 146.3
[M+K]+ 180.04214 132.2
[M+H-H2O]+ 124.07624 120.0
[M+HCOO]- 186.07718 142.0
[M+CH3COO]- 200.09283 172.7
[M+Na-2H]- 162.05365 134.6
[M]+ 141.07843 122.3
[M]- 141.07953 122.3
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