CID 167724211

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

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1C[C@@H]2O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-4-5-15-9-7(12)6-8(9)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKey
LLUYFHKTFQINLM-CIUDSAMLSA-N
Compound name
tert-butyl (1S,6S,8S)-8-hydroxy-2-oxa-5-azabicyclo[4.2.0]octane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 149.2
[M+Na]+ 252.12063 153.6
[M-H]- 228.12413 151.0
[M+NH4]+ 247.16523 158.9
[M+K]+ 268.09457 157.4
[M+H-H2O]+ 212.12867 138.6
[M+HCOO]- 274.12961 161.7
[M+CH3COO]- 288.14526 190.5
[M+Na-2H]- 250.10608 153.5
[M]+ 229.13086 157.7
[M]- 229.13196 157.7
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.