CID 167720558

Rac-(1r,6r,8r)-2-oxa-5-azabicyclo[4.2.0]octan-8-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1CO[C@@H]2[C@H](N1)C[C@H]2O
InChI
InChI=1S/C6H11NO2/c8-5-3-4-6(5)9-2-1-7-4/h4-8H,1-3H2/t4-,5-,6-/m1/s1
InChIKey
KQZJAHOJQOSDPZ-HSUXUTPPSA-N
Compound name
(1R,6R,8R)-2-oxa-5-azabicyclo[4.2.0]octan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 123.9
[M+Na]+ 152.06820 129.7
[M+NH4]+ 147.11280 128.3
[M+K]+ 168.04214 127.4
[M-H]- 128.07170 122.6
[M+Na-2H]- 150.05365 124.3
[M]+ 129.07843 122.9
[M]- 129.07953 122.9
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.