CID 11230995

2648938-94-5

Structural Information

Molecular Formula
C13H19NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C(=O)C1C(=O)OC
InChI
InChI=1S/C13H19NO5/c1-12(2,3)19-11(17)14-7-13(5-6-13)9(15)8(14)10(16)18-4/h8H,5-7H2,1-4H3
InChIKey
ZCBRJBQSVWURKE-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 6-O-methyl 7-oxo-5-azaspiro[2.4]heptane-5,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1263 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 163.8
[M+Na]+ 292.11552 173.0
[M-H]- 268.11902 169.2
[M+NH4]+ 287.16012 178.5
[M+K]+ 308.08946 171.4
[M+H-H2O]+ 252.12356 159.7
[M+HCOO]- 314.12450 181.1
[M+CH3COO]- 328.14015 197.2
[M+Na-2H]- 290.10097 165.5
[M]+ 269.12575 169.8
[M]- 269.12685 169.8
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.