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]+ 130.086256 120.2
[M+Na]+ 152.068198 125.3
[M-H]- 128.071704 120.8
[M+NH4]+ 147.112803 132.9
[M+K]+ 168.042138 127.9
[M+H-H2O]+ 112.076240 110.0
[M+HCOO]- 174.077181 134.9
[M+CH3COO]- 188.092831 169.5
[M+Na-2H]- 150.053646 127.8
[M]+ 129.07843142 124.1
[M]- 129.07952858 124.1
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.