CID 167725797

Rac-(1r,6r,8r)-8-(tert-butoxy)-2-oxa-5-azabicyclo[4.2.0]octane

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC(C)(C)O[C@@H]1C[C@@H]2[C@H]1OCCN2
InChI
InChI=1S/C10H19NO2/c1-10(2,3)13-8-6-7-9(8)12-5-4-11-7/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKey
XQZUCTAVUMIZNK-IWSPIJDZSA-N
Compound name
(1R,6R,8R)-8-[(2-methylpropan-2-yl)oxy]-2-oxa-5-azabicyclo[4.2.0]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 139.0
[M+Na]+ 208.13081 143.3
[M-H]- 184.13431 140.6
[M+NH4]+ 203.17541 150.4
[M+K]+ 224.10475 146.2
[M+H-H2O]+ 168.13885 128.6
[M+HCOO]- 230.13979 152.3
[M+CH3COO]- 244.15544 183.4
[M+Na-2H]- 206.11626 145.6
[M]+ 185.14104 145.5
[M]- 185.14214 145.5
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.