CID 165603861

2731007-06-8

Structural Information

Molecular Formula
C13H19NO5
SMILES
CCOC(=O)C1C(=O)C2(N1C(=O)OC(C)(C)C)CC2
InChI
InChI=1S/C13H19NO5/c1-5-18-10(16)8-9(15)13(6-7-13)14(8)11(17)19-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
CJNNZSGRSNTQRH-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 5-O-ethyl 6-oxo-4-azaspiro[2.3]hexane-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1263 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 165.5
[M+Na]+ 292.11552 173.1
[M-H]- 268.11902 170.7
[M+NH4]+ 287.16012 172.5
[M+K]+ 308.08946 174.7
[M+H-H2O]+ 252.12356 156.0
[M+HCOO]- 314.12450 181.7
[M+CH3COO]- 328.14015 201.8
[M+Na-2H]- 290.10097 167.7
[M]+ 269.12575 180.9
[M]- 269.12685 180.9
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.