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

15
Patents

141.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 125.9
[M+Na]+ 164.068198 132.0
[M-H]- 140.071704 127.4
[M+NH4]+ 159.112803 146.3
[M+K]+ 180.042138 132.2
[M+H-H2O]+ 124.076240 120.0
[M+HCOO]- 186.077181 142.0
[M+CH3COO]- 200.092831 172.7
[M+Na-2H]- 162.053646 134.6
[M]+ 141.07843142 122.3
[M]- 141.07952858 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