CID 71682517

1443663-91-9

Structural Information

Molecular Formula
C15H23NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@@H](C1)C2=O)C(=O)OC
InChI
InChI=1S/C15H23NO5/c1-15(2,3)21-14(19)16-7-10-5-9(13(18)20-4)6-11(8-16)12(10)17/h9-11H,5-8H2,1-4H3/t9?,10-,11+
InChIKey
MDFSQFGTCXNDBT-FGWVZKOKSA-N
Compound name
3-O-tert-butyl 7-O-methyl (1S,5R)-9-oxo-3-azabicyclo[3.3.1]nonane-3,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15762 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16490 167.9
[M+Na]+ 320.14684 172.7
[M-H]- 296.15034 168.4
[M+NH4]+ 315.19144 183.7
[M+K]+ 336.12078 172.2
[M+H-H2O]+ 280.15488 162.2
[M+HCOO]- 342.15582 179.5
[M+CH3COO]- 356.17147 203.6
[M+Na-2H]- 318.13229 169.5
[M]+ 297.15707 168.5
[M]- 297.15817 168.5
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.