CID 154857106

Rac-(4ar,6s,7as)-octahydrocyclopenta[b][1,4]oxazin-6-ol hydrochloride

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]+ 144.101916 129.4
[M+Na]+ 166.083858 135.0
[M-H]- 142.087364 129.6
[M+NH4]+ 161.128463 149.5
[M+K]+ 182.057798 133.8
[M+H-H2O]+ 126.091900 124.1
[M+HCOO]- 188.092841 144.6
[M+CH3COO]- 202.108491 166.7
[M+Na-2H]- 164.069306 134.4
[M]+ 143.09409142 123.0
[M]- 143.09518858 123.0
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.