CID 154857106

2470280-49-8

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CO[C@@H]2C[C@@H](C[C@@H]2N1)O
InChI
InChI=1S/C7H13NO2/c9-5-3-6-7(4-5)10-2-1-8-6/h5-9H,1-4H2/t5-,6+,7-/m1/s1
InChIKey
BBVINZGNIKFIRT-DSYKOEDSSA-N
Compound name
(4aS,6R,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.5
[M+Na]+ 166.08386 138.7
[M+NH4]+ 161.12846 138.1
[M+K]+ 182.05780 136.0
[M-H]- 142.08736 130.9
[M+Na-2H]- 164.06931 131.4
[M]+ 143.09409 130.9
[M]- 143.09519 130.9
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.