CID 167717389

Rac-(1r,5s)-6-oxa-3-azabicyclo[3.2.2]nonan-7-one hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C[C@@H]2CNC[C@H]1C(=O)O2
InChI
InChI=1S/C7H11NO2/c9-7-5-1-2-6(10-7)4-8-3-5/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKey
YVLNQZUEJCBLOZ-NTSWFWBYSA-N
Compound name
(1S,5R)-6-oxa-3-azabicyclo[3.2.2]nonan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 122.6
[M+Na]+ 164.06820 127.3
[M+NH4]+ 159.11280 129.3
[M+K]+ 180.04214 126.6
[M-H]- 140.07170 120.4
[M+Na-2H]- 162.05365 121.3
[M]+ 141.07843 122.5
[M]- 141.07953 122.5
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.