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]+ 142.086256 131.9
[M+Na]+ 164.068198 140.0
[M-H]- 140.071704 132.1
[M+NH4]+ 159.112803 152.1
[M+K]+ 180.042138 138.4
[M+H-H2O]+ 124.076240 132.5
[M+HCOO]- 186.077181 142.2
[M+CH3COO]- 200.092831 142.6
[M+Na-2H]- 162.053646 143.6
[M]+ 141.07843142 130.0
[M]- 141.07952858 130.0
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.