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]+ 242.138686 154.7
[M+Na]+ 264.120628 160.6
[M-H]- 240.124134 157.7
[M+NH4]+ 259.165233 172.6
[M+K]+ 280.094568 160.9
[M+H-H2O]+ 224.128670 149.4
[M+HCOO]- 286.129611 169.5
[M+CH3COO]- 300.145261 190.0
[M+Na-2H]- 262.106076 157.6
[M]+ 241.13086142 154.4
[M]- 241.13195858 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.