CID 58529872

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

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CNC[C@@H]2[C@@H]1OCC(=O)N2
InChI
InChI=1S/C7H12N2O2/c10-7-4-11-6-1-2-8-3-5(6)9-7/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m1/s1
InChIKey
CPDAYCDBCSPKNF-PHDIDXHHSA-N
Compound name
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

156.08987 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.2
[M+Na]+ 179.07909 138.2
[M-H]- 155.08259 131.6
[M+NH4]+ 174.12369 149.4
[M+K]+ 195.05303 136.3
[M+H-H2O]+ 139.08713 126.3
[M+HCOO]- 201.08807 145.1
[M+CH3COO]- 215.10372 143.7
[M+Na-2H]- 177.06454 139.6
[M]+ 156.08932 124.5
[M]- 156.09042 124.5
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

patents stripe