CID 55288333

3-oxa-9-azabicyclo[3.3.1]nonan-7-one hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C2COCC(N2)CC1=O
InChI
InChI=1S/C7H11NO2/c9-7-1-5-3-10-4-6(2-7)8-5/h5-6,8H,1-4H2
InChIKey
NZOXKWYNXYBVGD-UHFFFAOYSA-N
Compound name
3-oxa-9-azabicyclo[3.3.1]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

141.07898 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 126.7
[M+Na]+ 164.068198 132.4
[M-H]- 140.071704 126.8
[M+NH4]+ 159.112803 146.3
[M+K]+ 180.042138 131.6
[M+H-H2O]+ 124.076240 121.0
[M+HCOO]- 186.077181 141.2
[M+CH3COO]- 200.092831 170.1
[M+Na-2H]- 162.053646 134.9
[M]+ 141.07843142 121.3
[M]- 141.07952858 121.3
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