CID 58529872

1909287-20-2

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

19
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 133.9
[M+Na]+ 179.07909 144.0
[M+NH4]+ 174.12369 141.6
[M+K]+ 195.05303 139.2
[M-H]- 155.08259 135.0
[M+Na-2H]- 177.06454 136.2
[M]+ 156.08932 135.3
[M]- 156.09042 135.3
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