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]+ 144.10192 129.4
[M+Na]+ 166.08386 135.0
[M-H]- 142.08736 129.6
[M+NH4]+ 161.12846 149.5
[M+K]+ 182.05780 133.8
[M+H-H2O]+ 126.09190 124.1
[M+HCOO]- 188.09284 144.6
[M+CH3COO]- 202.10849 166.7
[M+Na-2H]- 164.06931 134.4
[M]+ 143.09409 123.0
[M]- 143.09519 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.