CID 121553011

Rac-(4ar,8ar)-octahydro-2h-pyrido[4,3-b]morpholine

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CNC[C@@H]2[C@@H]1OCCN2
InChI
InChI=1S/C7H14N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h6-9H,1-5H2/t6-,7-/m1/s1
InChIKey
AKVZQOUKDWLMFU-RNFRBKRXSA-N
Compound name
(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrido[4,3-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.11061 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 131.0
[M+Na]+ 165.099828 134.8
[M-H]- 141.103334 129.0
[M+NH4]+ 160.144433 147.6
[M+K]+ 181.073768 133.0
[M+H-H2O]+ 125.107870 123.9
[M+HCOO]- 187.108811 142.5
[M+CH3COO]- 201.124461 141.2
[M+Na-2H]- 163.085276 138.1
[M]+ 142.11006142 121.2
[M]- 142.11115858 121.2
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