CID 121553011

1909294-04-7

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

0
Patents

142.11061 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 131.9
[M+Na]+ 165.09983 142.0
[M+NH4]+ 160.14443 140.4
[M+K]+ 181.07377 136.6
[M-H]- 141.10333 133.7
[M+Na-2H]- 163.08528 135.0
[M]+ 142.11006 133.5
[M]- 142.11116 133.5
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.