CID 92794237

2307732-20-1

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1COC[C@@H]2[C@@H]1OCCN2
InChI
InChI=1S/C7H13NO2/c1-3-9-5-6-7(1)10-4-2-8-6/h6-8H,1-5H2/t6-,7-/m1/s1
InChIKey
BOLBQXJACOAUNB-RNFRBKRXSA-N
Compound name
(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-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]+ 144.101916 128.5
[M+Na]+ 166.083858 132.7
[M-H]- 142.087364 130.1
[M+NH4]+ 161.128463 145.8
[M+K]+ 182.057798 133.4
[M+H-H2O]+ 126.091900 122.1
[M+HCOO]- 188.092841 142.1
[M+CH3COO]- 202.108491 140.1
[M+Na-2H]- 164.069306 137.1
[M]+ 143.09409142 122.0
[M]- 143.09518858 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.