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

91
Patents

141.07898 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 126.7
[M+Na]+ 164.06820 132.4
[M-H]- 140.07170 126.8
[M+NH4]+ 159.11280 146.3
[M+K]+ 180.04214 131.6
[M+H-H2O]+ 124.07624 121.0
[M+HCOO]- 186.07718 141.2
[M+CH3COO]- 200.09283 170.1
[M+Na-2H]- 162.05365 134.9
[M]+ 141.07843 121.3
[M]- 141.07953 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