CID 146082496

Rac-tert-butyl (4ar,7as)-6-oxo-octahydrocyclopenta[b][1,4]oxazine-4-carboxylate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1CC(=O)C2
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-4-5-16-10-7-8(14)6-9(10)13/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKey
PBPWEAGKPSLKJA-VHSXEESVSA-N
Compound name
tert-butyl (4aS,7aR)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.7
[M+Na]+ 264.12063 160.6
[M-H]- 240.12413 157.7
[M+NH4]+ 259.16523 172.6
[M+K]+ 280.09457 160.9
[M+H-H2O]+ 224.12867 149.4
[M+HCOO]- 286.12961 169.5
[M+CH3COO]- 300.14526 190.0
[M+Na-2H]- 262.10608 157.6
[M]+ 241.13086 154.4
[M]- 241.13196 154.4
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.