CID 96217440

Rac-(1r,6s)-8-oxa-3-azabicyclo[4.2.0]octane

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC[C@@H]2[C@H]1CO2
InChI
InChI=1S/C6H11NO/c1-2-7-3-6-5(1)4-8-6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKey
SGNDFJVXTXKBGO-PHDIDXHHSA-N
Compound name
(1S,6R)-8-oxa-3-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 115.5
[M+Na]+ 136.07328 120.4
[M-H]- 112.07678 117.2
[M+NH4]+ 131.11788 129.4
[M+K]+ 152.04722 123.3
[M+H-H2O]+ 96.081320 105.2
[M+HCOO]- 158.08226 131.6
[M+CH3COO]- 172.09791 168.8
[M+Na-2H]- 134.05873 124.5
[M]+ 113.08351 119.4
[M]- 113.08461 119.4
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.