CID 92794233

Rac-(4ar,8ar)-octahydropyrano[3,4-b]morpholine

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1COC[C@H]2[C@H]1NCCO2
InChI
InChI=1S/C7H13NO2/c1-3-9-5-7-6(1)8-2-4-10-7/h6-8H,1-5H2/t6-,7-/m0/s1
InChIKey
PMVVAENUEIYCPG-BQBZGAKWSA-N
Compound name
(4aR,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.5
[M+Na]+ 166.08386 132.7
[M-H]- 142.08736 130.1
[M+NH4]+ 161.12846 145.8
[M+K]+ 182.05780 133.4
[M+H-H2O]+ 126.09190 122.1
[M+HCOO]- 188.09284 142.1
[M+CH3COO]- 202.10849 140.1
[M+Na-2H]- 164.06931 137.1
[M]+ 143.09409 122.0
[M]- 143.09519 122.0
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.